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  • 1. Abbasi, Alireza
    et al.
    Badiei, Alireza
    Khaniani, Yeganeh
    Golchoubian, Hamid
    Eriksson, Lars
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK), Inorganic and Structural Chemistry.
    N,N '-bis(2,6-dichlorobenzyl)ethylene-diimine2007In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 63, p. o3773-U2712Article in journal (Refereed)
    Abstract [en]

    In the centrosymmetric title compound, C16H12Cl4N2, the asymmetric unit is one half-molecule. Weak van der Waals interactions between the molecules are effective in the molecular packing. This is the first reported structure of a chloro-substituted benzaldehyde derivative that can potentially form a tetradentate ligand.

  • 2. Aberg, V.
    et al.
    Bostrom, D.
    Fischer, Andreas
    KTH, Superseded Departments, Chemistry.
    Almqvist, F.
    Synthesis and absolute configuration of methyl(-)-(3R)-8-(4-bromophenyl)-7-(naphthalen-1-yl-methyl)-5-oxo-2,3-dihydro-5H-thiazolo 3,2-a pyridine-3-carboxylate2002In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 58, p. o812-o814Article in journal (Refereed)
    Abstract [en]

    The title molecule, C26H20BrNO3S, contains a ring-fused 2-pyridinone framework substituted with a 4-bromo-phenyl-, a naphthalen-1-ylmethyl and a methoxycarbonyl substituent. The main goal of this work was to confirm the stereochemistry for the methoxycarbonyl substituent, which proved to be 3R. Moreover, the 4-bromophenyl substituent was shown to be rotated out of the plane of the 2-pyridinone ring, with a torsion angle of 61.2 (5)degrees. To allow the best packing arrangement, the naphthalen-1-ylmethyl substituent is positioned to mediate an intermolecular pi-pi interaction.

  • 3. Alam, Samina
    et al.
    Hasan, Mashooda
    Saeed, Sadaf
    Fischer, Andreas
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    Khan, Naeema
    cis-(9S,10S)-Methyl 1-propyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate2008In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 64, p. O361-U1624Article in journal (Refereed)
    Abstract [en]

    The title compound, C16H20N2O2, was synthesized from ( S)tryptophan methyl ester hydrochloride and butyraldehyde. The absolute configuration 9S, 10S was assigned on the basis of the unchanging chirality of the C9 centre. The NH group of the indole ring is involved in intermolecular N-H center dot center dot center dot O hydrogen bonding, while the NH group of the six-membered ring is not. This latter ring has a half-chair conformation.

  • 4. Alam, Samina
    et al.
    Hasan, Mashooda
    Saeed, Sadaf
    Fischer, Andreas
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    Khan, Naeema
    trans-(1R,3S)-methyl 1-methyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate2007In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 63, p. O871-O872Article in journal (Refereed)
    Abstract [en]

    The title compound, C14H16N2O2, was obtained from the reaction between S-tryptophan methyl ester hydrochloride and acetaldehyde. The molecule adopts a trans configuration, with the methyl and methoxycarbonyl groups located on opposite sides of the central tetrahydro-beta-carboline unit. Bifurcated intermolecular N-H...O/N hydrogen bonds link the molecules into chains.

  • 5. Alam, Samina
    et al.
    Saeed, Sadaf
    Fischer, Andreas
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    Khan, Naeema
    Methyl 2-(2-hydroxyacetamido)benzoate2010In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 66, p. O913-U2993Article in journal (Refereed)
    Abstract [en]

    The title compound, C10H11NO4, was formed from 4,1-benzoxazepine-2,5(1H,3H)-dione and ammonia gas. Intramolecular hydrogen bonding is present between the amide N-H group and the carbonyl O atom of the ester group. The crystal structure features intermolecular O-H center dot center dot center dot O hydrogen bonds.

  • 6.
    Ali, Sharafat
    et al.
    Linnaeus University, Faculty of Science and Engineering, School of Engineering.
    Berastegui, Pedro
    Stockholm University.
    Esmaeilzadeh, Saeid
    Stockholm University.
    Eriksson, Lars
    Stockholm University.
    Jekabs, Grins
    Stockholm University.
    A cubic calcium oxynitrido-silicate, Ca2.89Si2N1.76O4.242011In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 67, article id i66Article in journal (Refereed)
    Abstract [en]

    The title compound, tricalcium oxynitride silicate, withcomposition Ca3-xSi2N2-2xO4+2x (x ’ 0.12), is a perovskiterelatedcalcium oxynitrido silicate containing isolated oxynitridosilicate 12-rings. The N atoms are statistically disorderedwith O atoms (occupancy ratio N:O = 0.88:0.12) and occupythe bridging positions in the 12 ring oxynitrido silicate anion,while the remaining O atoms are located at the terminalpositions of the Si(O,N)4 tetrahedra. The majority of the Ca2+cations fill the channels along [100] in the packing of the 12-ring anions. The rest of these cations are located at severalpositions, with partial occupancy, in channels along the bodydiagonals.

  • 7. Banenzoue, Charles
    et al.
    Ponou, Simeon
    Stockholm University, Faculty of Science, Department of Physical, Inorganic and Structural Chemistry, Inorganic Chemistry.
    Lambi, John Ngolui
    Non-isovalent substitution in a Zintl phase with the TiNiSi type structure, CaMg1-xAgxGe [x=0.13 (3)]2009In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 65, p. i90-U56Article in journal (Refereed)
    Abstract [en]

    Single crystals of the title Ag-substituted calcium magnesium germanide, CaMg1-xAgxGe [x = 0.13 (3)] were obtained from the reaction of the corresponding elements at high temperature. The compound crystallizes with the TiNiSi structure type (Pearson code oP12) and represents an Ag-substituted derivative of the Zintl phase CaMgGe in which a small fraction of the divalent Mg atoms have been replaced by monovalent Ag atoms. All three atoms in the asymmetric unit (Ca, Mg/Ag, Ge) occupy special positions with the same site symmetry (.m.). Although the end member CaAgGe has been reported in an isomorphic superstructure of the same TiNiSi type, higher Ag content in solid solutions could not be achieved due to competitive formation of other, perhaps more stable, phases.

  • 8. Berggren, Gustav
    et al.
    Anderlund, Magnus, F.
    Magnuson, Ann
    Åkermark, Björn
    Eriksson, Lars
    Sodium [1,2-bis(2-methyl-2-oxopropanamido)-benzene](tetrahydrofuran) manganese(III) methanol solvate2005In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, ISSN 1600-5368, Vol. 61, p. M1169-M1171Article in journal (Refereed)
  • 9.
    Berggren, Gustav
    et al.
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Photochemistry and Molecular Science.
    Kaynak, F. B.
    Anderlund, Magnus F.
    Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Photochemistry and Molecular Science.
    Eriksson, L.
    Åkermark, B.
    Tetraethylammonium [12,12-diethyl-2,2,9,9-tetramethyl-1,4,7,10-tetraza-5,6-benzotridecane-3 ,8,11,13-tetraone(4-)]oxidomanganate(V)2007In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 63, no 11, p. M2672-M2673Article in journal (Refereed)
    Abstract [en]

    The Mn-V complex in the title compound, (C8H20N)[ Mn(C21H26N4O4)O], is interesting as it has been suggested that Mn-V oxospecies are intermediates both in epoxidation of alkenes and in water oxidation in PSII, i.e. photosystem II, the protein found in oxygenic photosynthetic organisms, which uses light to split water into O-2, protons and electrons. The Mn atom has a square-pyramidal coordination of four N atoms with an apical O atom. The four N atoms coordinating to Mn [Mn-N = 1.872 (2)-1.882 (2) angstrom] form a plane within 0.03 (3) angstrom from which the Mn ion is displaced by 0.582 (2) angstrom.

  • 10. Bih, H.
    et al.
    Bih, L.
    Manoun, B.
    Azrour, M.
    Lazor, Peter
    Uppsala University, Disciplinary Domain of Science and Technology, Earth Sciences, Department of Earth Sciences, Solid Earth Geology.
    Ammari, L. El
    Pentaammonium heptasodium [bis(μ5-phosphato) pentakis (μ2-oxido)-decaoxidopentamolybdenum(VI)] henicosahydrate2010In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. E66, p. 20-21Article in journal (Refereed)
    Abstract [en]

    The title compound, (NH4)(5)Na-7[Mo5P2O23](2)center dot 21H(2)O, was prepared under atmospheric conditions in aqueous solution at room temperature. The structure contains the [Mo5P2O23](6-) heteropolyoxometallate anion, which has been previously reported a number of times with a variety of differing countercations. Each anion is built up of five MoO6 octahedra sharing an edge and forming a ring which is closed by common corners of the terminal octahedra. The rings are closed on both sides by two asymmetric PO4 tetrahedra, sharing three corners with three MoO6 octahedra. The anions are chiral and the two independent anions in the asymmetric unit were arbitarily chosen with the same chirality, but the centrosymmetric crystal contains both enantiomers. The structure can alternatively be described as a succession of layers parallel to (101), formed by the [Mo5P2O23](6-) anions and linked by sodium chains. Water molecules and ammonium ions fill the remaining space and ensure the cohesion through extensive N-H center dot center dot center dot O and O-H center dot center dot center dot O hydrogen bonding.

  • 11.
    Boström, Dan
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Bergquist, G
    Pettersson, Lage
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Sodium trirubidium metavanadate monohydrate2003In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. E59, no 11, p. i151-i153Article in journal (Refereed)
    Abstract [en]

    The title compound, sodium trirubidium metavanadate monohydrate, NaRb3(VO3)4(H2O), crystallizes in the orthorhombic space group Pnma. The structure, which represents a rare type of catena-vanadate, is built up of strongly folded chains of corner-sharing [VO4] tetrahedra, running in the [010] direction with a periodicity of four. A three-dimensional framework is obtained by sodium ions linking adjacent chains in the [001] direction and by rubidium ions linking adjacent chains in the [100] direction. The single water molecule binds to the sodium ion and to two rubidium ions.

  • 12.
    Boström, Dan
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Clausén, Maria
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Sandström, Malin
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Hexakis(dimethyl sulfoxide-kappa O)aluminium(III) trichloride2003In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 59, p. M934-M935Article in journal (Refereed)
    Abstract [en]

    The title compound, [Al{(CH3)(2)SO}(6)]Cl-3, crystallizes in the trigonal space group R(3) over bar. In this structure, the O atoms of six dimethyl sulfoxide (DMSO) molecules are bonded to the Al3+ ion in the form of a trigonally distorted octahedron. The Al3+ ion is situated at special site 3b (symmetry (3) over bar), while the Cl- ions are situated at special sites 3a and 6c (symmetries (3) over bar and 3). Considering only the Al3+ ions separately, they are arranged in a slightly distorted cubic close-packed arrangement. In this crystal structure, the Cl- ions occupy both the tetrahedral sites and the octahedral sites, giving a Cl-:Al3+ ratio of 3:1. This geometric condition results in a distorted rhombododecahedral arrangement of Cl- ions around the Al3+ ions.

  • 13.
    Boström, Dan
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Clausén, Maria
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Sandström, Malin
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Hexakis(dimethyl sulfoxide-KO)aluminium(III) trichloride2003In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 59, no 10, p. m934-m935Article in journal (Refereed)
    Abstract [en]

    The title compound, [Al{(CH3)2SO}6]Cl3, crystallizes in the trigonal space group R. In this structure, the O atoms of six dimethyl sulfoxide (DMSO) molecules are bonded to the Al3+ ion in the form of a trigonally distorted octahedron. The Al3+ ion is situated at special site 3b (symmetry ), while the Cl- ions are situated at special sites 3a and 6c (symmetries and 3). Considering only the Al3+ ions separately, they are arranged in a slightly distorted cubic close-packed arrangement. In this crystal structure, the Cl- ions occupy both the tetrahedral sites and the octahedral sites, giving a Cl-:Al3+ ratio of 3:1. This geometric condition results in a distorted rhombododecahedral arrangement of Cl- ions around the Al3+ ions.

  • 14.
    Burkhardt, Anja
    et al.
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Eriksson, Lars
    Stockholm University, Faculty of Science, Department of Physical, Inorganic and Structural Chemistry, Department of Structural Chemistry.
    Widmalm, Göran
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Cumpstey, Ian
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    (Z)-1,2:5,6-di-O-isopropylidene-α-D-ribo-hexofuranos-3-ulose O-benzyloxime2009In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. E65, no Part 3, p. o633-o633Article in journal (Refereed)
  • 15.
    Cantillana, T
    et al.
    Stockholm University, Faculty of Science, Department of Environmental Chemistry.
    Eriksson, Lars
    Stockholm University, Faculty of Science, Department of Physical, Inorganic and Structural Chemistry.
    (2S)-1,1-dichloro-2-(2-chlorophenyl)-2-(4-chlorophenyl)ethane2009In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 65(Pt 1), p. m9-m10Article in journal (Other academic)
    Abstract [en]

    In the mol­ecule of the title compound, [HgCl2(C10H9N3)], the HgII atom is four-coordinated in a distorted tetra­hedral configuration by two N atoms from the chelating di-2-pyridylamine ligand and by two Cl atoms. In the crystal structure, inter­molecular N—HCl hydrogen bonds link the mol­ecules into centrosymmetric dimers. There is a π–π contact between the pyridine rings [centroid–centroid distance = 3.896 (5) Å].

  • 16.
    Cantillana, Tatiana
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Eriksson, Lars
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    (2S)-1,1-Dichloro-2-(2-chlorophenyl)-2-(4-chlorophenyl)ethane2009In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 65, p. OO297-U1934Article in journal (Refereed)
    Abstract [en]

    The title compound, C14H10Cl4, is easily crystallized while the other enantiomorph only forms an oil upon crystallization attempts. The title compound has a considerably higher density, rho similar or equal to 1.562 Mg m(-3) compared to the racemic substance, rho similar or equal to 1.514 Mg m(-3). This is supported by the fact there are two intermolecular halogen-halogen contacts in the title compound compared with only one the racemic compound. The dihedral angle between the two phenyl rings is 76.83 (5)degrees

  • 17.
    Diesen, Veronica
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Applied Physical Chemistry.
    Lousada, Claudio
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Applied Physical Chemistry.
    Fischer, Andreas
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Applied Physical Chemistry.
    A hydrogen sulfate salt of chlordiazepoxide2012In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 68, no 7, p. o2091-o2092Article in journal (Refereed)
    Abstract [en]

    Crystals of the hydrogen sulfate salt of chlordiazepoxide (systematic name: 7-chloro-Nmethyl-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-iminium 4-oxide hydrogen sulfate), C 16H 15ClN 3O +·HSO 4 -, were obtained from a solution of chlordiazepoxide and sulfuric acid in methanol. The structure features chlordiazepoxide molecules that are protonated at the imine N atom. The seven-membered ring adopts a boat conformation with the CH 2 group as the prow and the two aryl C atoms as the stern. The dihedral angle between the benzene rings is 72.41 (6)°. In the crystal, the HSO 4 - anion acts as a bridging group between two chlordiazepoxide cations. The H atom of the protonated imino N forms an N - H⋯O hydrogen bond with a hydrogen sulfate ion. The anion in turn forms two hydrogen bonds, O - H⋯O with the anion as donor and N - H⋯O with the anion as acceptor, to generate an R 2 2(10) loop. Each HSO 4 - anion connects two chlordiazepoxide moieties of the same chirality.

  • 18. Ekstrom, J.
    et al.
    Ott, S.
    Sun, Licheng
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry.
    Akermark, B.
    Eriksson, L.
    Pentacarbonyl(diphenyl(N-propylamine)phosphine)diiron(mu-1,3-propanedithiolate)2005In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 61, p. M852-M853Article in journal (Refereed)
    Abstract [en]

    The title compound, (μ-(SCH2)(2)CH2) Fe(CO)(3)Fe(CO)(2)P( C6H5)(2)NHCH2CH2CH3, has been prepared and characterized as a a model substance for a class of enzymes known as hydrogenases.

  • 19.
    Eriksson, Lars
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Widmalm, Göran
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Methyl 3-O-alpha-L-fucopyranosyl alpha-D-galactopyranoside: a synchrotron study2012In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 68, p. o528-U1770Article in journal (Refereed)
    Abstract [en]

    The title compound, C13H24O10 is the methyl glycoside of a structural element alpha-L-Fucp-(1 -> 3)-alpha-D-Galp making up two thirds of the repeating unit in the capsular polysaccharide of Klebsiella K63. The conformation of the title compound is described by the glycosidic torsion angles phi(H) = 55 (1)degrees and psi H = -24 (1)degrees. The hydroxymethyl group in the galactose residue is present in the gauche-trans conformation. In the crystal, O-H center dot center dot center dot O hydrogen bonds connect the disaccharide units into chains along the a-axis direction and further hydrogen bonds cross-link the chains.

  • 20.
    Eriksson, Lars
    et al.
    Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
    Widmalm, Göran
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Methyl 3-O-α-l-fucopyranosyl β-d-glucopyranoside tetrahydrate2012In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 68, p. o3180-o3181Article in journal (Refereed)
    Abstract [en]

    The title compound, C13H24O10·4H2O, is the methyl glycoside of a disaccharide structural element present in the backbone of the capsular polysaccharide from Klebsiella K1, which contains only three sugars and a substituent in the polysaccharide repeating unit. The conformation of the title disaccharide is described by the glycosidic torsion angles ϕH = 51.1 (1)° and ψH = 25.8 (1)°. In the crystal, a number of O—HO hydrogen bonds link the methyl glycoside and water mol­ecules, forming a three-dimensional network. One water mol­ecule is disordered over two positions with occupancies of 0.748 (4) and 0.252 (4).

  • 21. Eriksson, Lars
    et al.
    Widmalm, Göran
    Stockholm University, Faculty of Science, Department of Organic Chemistry.
    Methyl α-l-rhamnosyl-(1→2)[α-l-rhamnosyl-(1→3)]-α-l-rhamnoside penta­hydrate: synchrotron study2012In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 68, no 7, p. o2221-o2222Article in journal (Refereed)
    Abstract [en]

    The title hydrate, C19H34O13·5H2O, contains a vicinally disubstituted tris­accharide in which the two terminal rhamnosyl sugar groups are positioned adjacent to each other. The conformation of the tris­accharide is described by the glycosidic torsion angles ϕ2 = 48 (1)°, ψ2 = −29 (1)°, ϕ3 = 44 (1)° and ψ3 = 4 (1)°, whereas the ψ2 torsion angle represents a conformation from the major state in solution, the ψ3 torsion angle conformation may have been caught near a potential energy saddle-point when compared to its solution structure, in which at least two but probably three conformational states are populated. Extensive inter­molecular O—HO hydrogen bonding is present in the crystal and a water-containing channel is formed along the b-axis direction.

  • 22. Eriksson, M.
    et al.
    Fischer, Andreas
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    Lind, Johan
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Nuclear Chemistry.
    Zazzi, A.
    2R, 3S)-2,3-dibromosuccinic acid2006In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 62, p. O200-O201Article in journal (Refereed)
    Abstract [en]

    Crystals of the title compound, C4H4Br2O4, were grown from an aqueous solution. The structure features centrosymmetric molecules, each of which forms hydrogen bonds with two adjacent acid molecules, yielding long chains.

  • 23.
    Fischer, Andreas
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    2-bromofumaric acid2006In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 62, p. O4190-O4191Article in journal (Refereed)
    Abstract [en]

    Single crystals of 2-bromofumaric acid, C4H3BrO4, were obtained from an aqueous solution of racemic 2,3-dibromosuccinic acid and (-)-quinine. The title compound crystallizes with two molecules in the asymmetric unit. The structure is stabilized by O - H center dot center dot center dot O hydrogen bonds forming alternating chains.

  • 24.
    Fischer, Andreas
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    2-Bromomaleic acid2009In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 65, p. O2240-U2786Article in journal (Refereed)
    Abstract [en]

    The title compound, C4H3BrO4, was obtained from a solution of meso-2,3-dibromosuccinic acid and vanadium(IV) oxide. The crystals are isostructural with chloromaleic acid and the molecule has two geometrically different carboxyl groups, one of which has delocalized C-O bonds and is essentially coplanar with the olefinic bond plane [give dihedral angle 15.08 (16)degrees], whereas the other has a localized C=O bond and forms a dihedral angle of 99.6 (3)degrees with the C C bond plane. Two symmetry-independent O-H center dot center dot center dot O hydrogen bonds link the molecules into layers parallel to the bc plane.

  • 25.
    Fischer, Andreas
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Applied Physical Chemistry.
    Chlordiazepoxide dichloromethane monosolvate2012In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368Article in journal (Refereed)
    Abstract [en]

    In the title compound (systematic name: 7-chloro-2-methyl­amino-5-phenyl-3H-1,4-benzodiazepine 4-oxide dichloro­meth­ane monosolvate), C16H14ClN3O·CH2Cl2, the seven-membered ring adopts a boat conformation with the CH2 group as the prow and the two aromatic C atoms as the stern. The dihedral angle between the benzene rings is 75.25 (6)°. The crystal structure features centrosymmetric pairs of chlordiazepoxide mol­ecules linked by pairs of N—H...O hydrogen bonds, which generate R22(12) loops.

  • 26.
    Fischer, Andreas
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    D-Alanine alaninium bromide2006In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 62, p. O5786-O5788Article in journal (Refereed)
    Abstract [en]

    The title compound, C3H7NO2+Br-center dot C3H8NO2, crystallizes from an aqueous solution of D-alanine and racemic 2,3-dibromosuccinic acid. The structure includes alaninium cations and neutral zwitterionic alanine, and displays N-H center dot center dot center dot Br, N-H center dot center dot center dot O and O-H center dot center dot center dot O hydrogen bonding.

  • 27.
    Fischer, Andreas
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    Hexaaqua mu-di-mu-oxo-bis(hydroxodioxoiodate) dieuropium(III) bis(perchlorate) dihydrate2005In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 61, p. I262-I264Article in journal (Refereed)
    Abstract [en]

    The title compound, [Eu-2(H2I2O10)(H2O)(6)](ClO4)(2) (.) 2H(2)O, is isostructural with the corresponding Pr, Sm and Gd phases. It features Eu3+ cations, which are coordinated by centrosymmetric H2I2O10 (4-) anions and water molecules, forming positively charged sheets, separated by perchlorate anions and non-coordinated water molecules.

  • 28.
    Fischer, Andreas
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    Hexaaquairon(III) perchlorate trihydrate2006In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 62, p. I94-I95Article in journal (Refereed)
    Abstract [en]

    A single crystal of commercially available 'iron(III) perchlorate hexahydrate' has been structurally characterized and shown to be hexaaquairon( III) tris( perchlorate) trihydrate, [Fe(H2O)(6)](ClO4)(3) (.) 3H(2)O. The structure contains [Fe(H2O)(6)](3+) complex ions, charge-balancing perchlorate ions and three water molecules of crystallization per Fe atom. A network of O-H (. . .) O hydrogen bonds helps to stabilize the crystal packing. Fe, Cl and one water O atom occupy special positions with site symmetries (3) over bar, 2, and 2, respectively.

  • 29.
    Fischer, Andreas
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    Lithium hydrogen (RS)-phenylsuccinate2005In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 61, p. M320-M322Article in journal (Refereed)
    Abstract [en]

    From a solution of lithium hydroxide and (RS)-phenylsuccinic acid in water, crystals of the title compound, Li+.C10H9O4-, were obtained. The basic structural feature is an approximately square-planar centrosymmetric Li2O2 unit. The Li atoms in this unit are coordinated by further O atoms, yielding a distorted tetrahedral geometry around Li.

  • 30.
    Fischer, Andreas
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    (R)-1-phenylethanaminium bromide2006In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 62, p. O2556-O2557Article in journal (Refereed)
    Abstract [en]

    The title compound, C8H12N+.Br-, was obtained from an aqueous solution of (R)-1-phenylethanamine and racemic 2,3-dibromosuccinic acid. It features a three-dimensional network of N-H center dot center dot center dot Br hydrogen bonds.

  • 31.
    Fischer, Andreas
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    (R)-1-Phenylethanaminium-(S,S)-2,3-dibromosuccinate-(R,R)-2,3-dibromosuccinic acid water (2/1/1/2)2006In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 62, p. O1281-O1283Article in journal (Refereed)
    Abstract [en]

    From an aqueous solution of racemic 2,3-dibromosuccinic acid and (R)-1-phenylethanamine, crystals of the title compound, C8H12N+ .0.5C(4)H(2)Br(2)O(4)(2-) .0.5C(4)H(4)Br(2)O(4)(.)H(2)O, were obtained in almost quantitative yield. The structure contains both enantiomers of the starting material, dibromosuccinic acid. The S, S enantiomer is present as a dianion and the R, R enantiomer as the neutral acid; both of these components lie on twofold rotation axes. The structure features a complex two-dimensional network of hydrogen bonds.

  • 32.
    Fischer, Andreas
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    Redetermination of HI3O8, an adduct of formula HIO3 center dot I2O52005In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 61, p. I278-I279Article in journal (Refereed)
    Abstract [en]

    Crystals of commercial iodic( V) acid, HIO3, were investigated using single-crystal and powder X-ray diffraction. The crystals turned out to be HI3O8 or (HIO3I2O5)-I-. [iodic acid-diiodine pentaoxide (1/1)] instead, whose structure has been determined previously [Feikema & Vos (1966). Acta Cryst. 20, 769-777]. Redetermination of the structure gave higher precision and allowed the location of the H atom.

  • 33.
    Fischer, Andreas
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    (R)-phenylethanaminium fluoride monohydrate2006In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 62, p. O5834-O5835Article in journal (Refereed)
    Abstract [en]

    The title compound, C8H12FN.H2O, was crystallized from an aqueous solution. The crystal structure features N-H...F, N-H...O and O-H...F hydrogen bonding.

  • 34.
    Fischer, Andreas
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    Trisilver(I) citrate2011In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 67, p. M255-U1507Article in journal (Refereed)
    Abstract [en]

    Trisilver(I) citrate, 3Ag(+)center dot C6H5O73-, was obtained by evaporation of a saturated aqueous solution of the raw material that had been obtained from sodium dihydrogen citrate and silver nitrate. It features one formula unit in the asymmetric unit. There is an intramolecular O-H center dot center dot center dot O hydrogen bond between the OH group and one of the terminal carboxylate groups. Different citrate groups are linked via the three Ag+ ions, yielding a three-dimensional network with rather irregular [AgO4] polyhedra.

  • 35.
    Fischer, Andreas
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    Palladino, G.
    Tetra-n-butylammonium di-mu-hydroxobis dinitratodioxouranate(VI)2005In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 61, p. M1542-M1544Article in journal (Refereed)
    Abstract [en]

    From an aqueous solution of uranyl nitrate hexahydrate and tetra-n-butylammonium nitrate, single crystals of the title compound, (C16H36N)(2)[U-2(NO3)(4)(OH)(2)O-4], were obtained. The structure features a dimeric hydroxo-bridged tetranitratodihydroxobis[ dioxouranate(VI)] dianion.

  • 36.
    Fischer, Andreas
    et al.
    KTH, Superseded Departments, Chemistry.
    Palladino, G.
    Trisodium citrate dihydrate2003In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 59, p. M1080-M1082Article in journal (Refereed)
    Abstract [en]

    From a solution containing uranyl nitrate and sodium citrate, single crystals of trisodium citrate dihydrate, 3Na(+).C6H5O73-.-2H(2)O, were obtained. The structure consists of a complex network of citrate and sodium ions. Additionally, hydrogen bonds between the citrate ions and the water of crystallization are formed.

  • 37.
    Fischer, Andreas
    et al.
    KTH, Superseded Departments, Chemistry.
    Profir, V. M.
    A 2-propanol solvate of (RS)-phenylsuccinic acid2004In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 60, p. O979-O981Article in journal (Refereed)
    Abstract [en]

    A solvate of (RS)-phenylsuccinic acid (RS-PSA) has been obtained from 2-propanol ( IPA). The compound, C10H10O4.C3H8O, crystallizes in the monoclinic crystal system (space group C2/c). It features molecules of the S form of the acid, one of whose carboxy groups is connected to one carboxy group of a molecule of the opposite chirality via two hydrogen bonds. The second carboxy group of the S molecule is connected to two other S molecules via the OH groups of two 2-propanol solvent molecules.

  • 38.
    Fischer, Andreas
    et al.
    KTH, Superseded Departments, Chemistry.
    Profir, V. M.
    A metastable modification of (RS)-mandelic acid2003In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 59, p. O1113-O1116Article in journal (Refereed)
    Abstract [en]

    A metastable modification of (RS)-mandelic acid, C8H8O3, was obtained from an aqueous solution. The structure features hydrogen-bonded double chains of acid molecules, which run along the a axis of the crystal. The structure shows a close relationship to that of the pure enantiomer and differs significantly from the structure of the stable modification of the racemate. There are two molecules in the asymmetric unit.

  • 39.
    Fischer, Andreas
    et al.
    KTH, Superseded Departments, Chemistry.
    Profir, V. M.
    (RS)-Phenylsuccinic acid2003In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 59, p. O485-O487Article in journal (Refereed)
  • 40.
    Fischer, Andreas
    et al.
    KTH, Superseded Departments, Chemistry.
    Profir, V. M.
    (S)-Phenylsuccinic acid2003In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 59, p. O319-O320Article in journal (Refereed)
    Abstract [en]

    (S)-Phenylsuccinic acid, C10H10O4, crystallizes from water with two molecules per asymmetric unit. In the crystal structure, the carboxyl groups of each acid molecule are connected to those of adjacent molecules via hydrogen bonds; each molecule is connected to three other molecules, forming infinite chains.

  • 41.
    Fischer, Andreas
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    Swamy, M. T.
    Narayana, B.
    Yathirajan, H. S.
    rac-Ethyl 3-(3-bromo-2-thienyl)-2-oxo-6-(4-propoxyphenyl)cyclohex-3-ene-1-carboxyl ate2008In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 64, p. O2152-U2248Article in journal (Refereed)
    Abstract [en]

    The racemic title compound, C22H23BrO4S, crystallizes with two molecules in the asymmetric unit. The dihedral angles between the thiophene and phenyl rings are 71.64 (17) and 73.41 (17)degrees.

  • 42.
    Fischer, Andreas
    et al.
    KTH, Superseded Departments, Chemistry.
    Szabo, Zoltan
    KTH, Superseded Departments, Chemistry.
    Sodium pentafluorouranate(IV) monohydrate, Na[UF5]center dot H2O2004In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 60, p. I45-I46Article in journal (Refereed)
    Abstract [en]

    Na[UF5]·H2O crystallizes in the orthorhombic space group Pbcn. It contains a uranium(IV) ion, which is coordinated by nine F- ions yielding a tricapped trigonal prism. Some of the F - ions function as bridging ligands coordinating to the Na + ion. The latter is coordinated by four F- ions. Together with two molecules of water of crystallization, a distorted octahedral coordination around Na+ is obtained.

  • 43.
    Fischer, Andreas
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    Yathirajan, H. S.
    Ashalatha, B. V.
    Narayana, B.
    Sarojin, B. K.
    (7RS,8SR)-ethyl 6-(1,3-benzodioxol-5-yl)-3-(3-bromo-2-thienyl)-2-oxocyclohex-3-ene-1-carboxylate2007In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 63, p. O3616-U4513Article in journal (Refereed)
    Abstract [en]

    The title compound, C20H17BrO5S, crystallizes as a racemate. The dihedral angle between the thiophene and benzene rings is 66.91 (13)degrees.

  • 44.
    Fischer, Andreas
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    Yathirajan, H. S.
    Ashalatha, B. V.
    Narayana, B.
    Sarojini, B. K.
    (2E)-3-(biphenyl-4-yl)-1-(2,4-dichlorophenyl)-prop-2-en-1-one2007In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 63, p. o1351-o1352Article in journal (Refereed)
    Abstract [en]

    The title compound, C21H14Cl2O, was prepared from biphenyl-4-carbaldehyde and 2,4-dichloroacetophenone. Single crystals were obtained from acetone. The compound crystallizes with four molecules in the asymmetric unit, all of which deviate significantly from planarity.

  • 45.
    Fischer, Andreas
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    Yathirajan, H. S.
    Ashalatha, B. V.
    Narayana, B.
    Sarojini, B. K.
    (2E)-3-(biphenyl-4-yl)-1-(4-bromophenyl)-prop-2-en-1-one2007In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 63, p. o1355-o1356Article in journal (Refereed)
    Abstract [en]

    The title compound, C21H15BrO, was obtained from 4-bromoacetophenone and biphenyl-4-carbaldehyde. The geometry of the molecule is unexceptional. The compound crystallizes isostructurally with the corresponding chloro compound.

  • 46.
    Fischer, Andreas
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    Yathirajan, H. S.
    Ashalatha, B. V.
    Narayana, B.
    Sarojini, B. K.
    (2E)-3-(biphenyl-4-yl)-1-(4-chlorophenyl)prop-2-en-1-one2007In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 63, p. o1353-o1354Article in journal (Refereed)
    Abstract [en]

    The title compound, C21H15ClO, was prepared from biphenyl-4-carbaldehyde and 4-chloroacetophenone. Single crystals were obtained from acetone. The compound is isostructural with the corresponding Br compound. The molecule deviates significantly from planarity.

  • 47.
    Fischer, Andreas
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    Yathirajan, H. S.
    Ashalatha, B. V.
    Narayana, B.
    Sarojini, B. K.
    (2E)-3-(biphenyl-4-yl)-1-(4-methoxyphenyl)-prop-2-en-1-one2007In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 63, p. o1349-o1350Article in journal (Refereed)
    Abstract [en]

    The title compound, C22H18O2, was prepared from biphenyl-4-carbaldehyde and 4-methoxyacetophenone. The molecule deviates significantly from planarity.

  • 48.
    Fischer, Andreas
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    Yathirajan, H. S.
    Ashalatha, B. V.
    Narayana, B.
    Sarojini, B. K.
    (2E)-3-(biphenyl-4-yl)-1-phenylprop-2-en-1-one2007In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 63, p. o1357-o1358Article in journal (Refereed)
    Abstract [en]

    The title compound, C21H16O, was prepared from biphenyl-4-carbaldehyde and acetophenone. The molecule is essentially planar.

  • 49.
    Fischer, Andreas
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    Yathirajan, H. S.
    Ashalatha, B. V.
    Narayana, B.
    Sarojini, B. K.
    (8RS,9SR)-Ethyl4-(3-bromothien-2-yl)-6(2-furyl)-2-oxocyclohex-3-ene-1-carboxylate2007In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 63, p. O254-O255Article in journal (Refereed)
    Abstract [en]

    The title compound, C17H15BrO4S, was synthesized from (2E)1-(3-bromo-2-thienyl)-3-(2-furyl)prop-2-en-1-one and ethyl acetoacetate in an ethanol solution. Single crystals were obtained from an ethyl acetate/hexane mixture. The crystal packing is stabilized by van der Waals forces.

  • 50.
    Fischer, Andreas
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    Yathirajan, H. S.
    Ashalatha, B. V.
    Narayana, B.
    Sarojini, B. K.
    Ethyl 4-(3-bromo-2-thienyl)-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate2008In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 64, p. O560-U861Article in journal (Refereed)
    Abstract [en]

    The title compound, C19H17BrO3S, crystallizes with two molecules in the asymmetric unit. The methyl group of one molecule is disordered approximately equally over two positions. The dihedral angles between the thiophene and phenyl groups are 68.5 (2) and 67.5 (2)degrees in the two molecules.

12 1 - 50 of 97
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