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  1. Article ; Online: Aquachlorido(2-{[6-(dimethylamino)pyrimidin-4-yl]sulfanyl}pyrimidine-4,6-diamine)copper(II) chloride hydrate

    Tristen E. Moyaert / Christina Paul / Weibin Chen / Amy A. Sarjeant / Louise N. Dawe

    Acta Crystallographica Section E: Crystallographic Communications, Vol 73, Iss 10, Pp 1534-

    2017  Volume 1538

    Abstract: A copper(II) complex of the non-symmetric bidentate ligand 2-{[6-(dimethylamino)pyrimidin-4-yl]sulfanyl}pyrimidine-4,6-diamine (L1) is reported. The single-crystal X-ray structure of aqua[aqua/chlorido(0.49/0.51)](2-{[6-(dimethylamino)pyrimidin-4-yl] ... ...

    Abstract A copper(II) complex of the non-symmetric bidentate ligand 2-{[6-(dimethylamino)pyrimidin-4-yl]sulfanyl}pyrimidine-4,6-diamine (L1) is reported. The single-crystal X-ray structure of aqua[aqua/chlorido(0.49/0.51)](2-{[6-(dimethylamino)pyrimidin-4-yl]sulfanyl}pyrimidine-4,6-diamine)copper(II) 0.49-chloride 1.51-hydrate, [CuCl1.51(C10H13N7S)(H2O)1.49]Cl0.49·1.51H2O or [(L1)Cl1.51(H2O)1.49Cu]0.49Cl·1.51H2O, exhibits distorted square-pyramidal geometry around the metal centre, with disorder in the axial position, occupied by chloride or water. The six-membered metal–chelate ring is in a boat conformation, and short intermolecular S.S interactions are observed. In addition to its capacity for bidentate metal coordination, the ligand has the ability to engage in further supramolecular interactions as both a hydrogen-bond donor and acceptor, and multiple interactions with lattice solvent water molecules are present in the reported structure.
    Keywords crystal structure ; copper(II) ; non-symmetric sulfanyl ligand ; disorder ; Chemistry ; QD1-999
    Language English
    Publishing date 2017-10-01T00:00:00Z
    Publisher International Union of Crystallography
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  2. Article ; Online: 1,2-Bis{4-[1-(anthracen-9-ylmethyl)-1H-1,2,3-triazol-4-yl]phenyl}-1,2-bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]ethane

    Karimulla Mulla / Yuming Zhao / Louise N. Dawe

    Acta Crystallographica Section E, Vol 68, Iss 12, Pp o3298-o

    2012  Volume 3299

    Abstract: The title molecule, C58H44N6S8, has point symmetry 2 (in the Schönfliess notation C2). The related crystallographic twofold axis bisects the central ethane bond while it is parallel to the monoclinic unique axis of the unit cell. The dithiole=C—C= ... ...

    Abstract The title molecule, C58H44N6S8, has point symmetry 2 (in the Schönfliess notation C2). The related crystallographic twofold axis bisects the central ethane bond while it is parallel to the monoclinic unique axis of the unit cell. The dithiole=C—C=dithiole torsion angle is 103.7 (4)° and the triazole–anthracene moieties adopt a pincer-like conformation. The crystal structure features C—H.S and C—H.N contacts. The distance between the stacked anthracene fragments [centroid—centroid separations of 3.6871 (19) Å, off-set by 1.516 (3) Å and mean anthracene plane-plane separations of 3.361 (2) Å], which are parallel to (101) and (-101), indicates intermolecular anthracene–anthracene π–π contacts. One of the terminal methylsulfanyl groups was modelled as being disordered with two refined orientations that converged to occupancies of 0.809 (5) and 0.191 (5).
    Keywords Chemistry ; QD1-999
    Subject code 500
    Language English
    Publishing date 2012-12-01T00:00:00Z
    Publisher International Union of Crystallography
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  3. Article ; Online: Tetra-μ2-acetato-tetraaquadi-μ3-oxido-octaoxidotetrauranium(VI) methanol disolvate tetrahydrate

    Hisham Sleem / Paris Georghiou / Louise N. Dawe

    Acta Crystallographica Section E, Vol 67, Iss 12, Pp m1880-m

    2011  Volume 1881

    Abstract: The centrosymmetric title tetramer, [U4(C2H3O2)4O10(H2O)4]·2CH4O, has a near planar core [maximum deviation from the least squares plane of 0.294 (6) Å]. It consists of two hexagonal–bipyramidally coordinated UVI atoms connected via μ2-O (acetate) and μ3- ...

    Abstract The centrosymmetric title tetramer, [U4(C2H3O2)4O10(H2O)4]·2CH4O, has a near planar core [maximum deviation from the least squares plane of 0.294 (6) Å]. It consists of two hexagonal–bipyramidally coordinated UVI atoms connected via μ2-O (acetate) and μ3-O (oxide) bridges in the equatorial plane to two pentagonal–bipyramidally coordinated UVI atoms. The equatorial plane of each UVI atom is completed by a bound water molecule, while the axial positions are occupied by uranyl (UO2)2+ O atoms. Multiple O—H.O hydrogen bonds are present, including a lattice methanol molecule bound to one of the pentagonal bipyramidal uranyl O atoms, as well as two different C_{1}^{1}(6) chains orginating from a donor water molecule, via a uranyl oxygen acceptor and an acetate acceptor on different, adjacent tetramers. Finally, the unit cell contains four UVI tetramers, all connected by hydrogen bonding, forming a supramolecular R44(24) ring.
    Keywords Chemistry ; QD1-999
    Subject code 540
    Language English
    Publishing date 2011-12-01T00:00:00Z
    Publisher International Union of Crystallography
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  4. Article ; Online: 4-Oxo-1,4-dihydrobenzo[h][1,3]thiazeto[3,2-a]quinoline-1,3-dicarboxylic acid

    Louise N. Dawe / Abeer Ahmed / Mohsen Daneshtalab

    Acta Crystallographica Section E, Vol 67, Iss 2, Pp o529-o

    2011  Volume 529

    Abstract: In the title molecule, C16H9NO5S, there is an intramolecular O—H.O hydrogen bond involving the quinolone carbonyl O atom and a carboxyl OH group. In the crystal, intermolecular O—H.O hydrogen bonds between the carbonyl group of the quinolone carboxyl ... ...

    Abstract In the title molecule, C16H9NO5S, there is an intramolecular O—H.O hydrogen bond involving the quinolone carbonyl O atom and a carboxyl OH group. In the crystal, intermolecular O—H.O hydrogen bonds between the carbonyl group of the quinolone carboxyl group, and a second carboxyl group on the thiazeto moiety lead to the formation of chains propagating along [201] and perpendicular to the π-stacks of molecules.
    Keywords Chemistry ; QD1-999
    Language English
    Publishing date 2011-02-01T00:00:00Z
    Publisher International Union of Crystallography
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  5. Article ; Online: Acetatoaqua{4,4′,6,6′-tetra-tert-butyl-2,2′-[(2-pyridylmethyl)iminodimethylene]diphenolato}manganese(III) ethanol solvate

    Elliott Chard / Louise N. Dawe / Christopher M. Kozak

    Acta Crystallographica Section E, Vol 66, Iss 7, Pp m771-m

    2010  Volume 771

    Abstract: In the title complex, [Mn(C36H50N2O2)(CH3COO)(H2O)]·CH3CH2OH, the MnIII atom is in an octahedral environment and is coordinated by the tetradentate amine–bis(phenolate) ligand, a monodentate acetate anion and a water molecule. An ethanol solvent molecule ...

    Abstract In the title complex, [Mn(C36H50N2O2)(CH3COO)(H2O)]·CH3CH2OH, the MnIII atom is in an octahedral environment and is coordinated by the tetradentate amine–bis(phenolate) ligand, a monodentate acetate anion and a water molecule. An ethanol solvent molecule is also found in the asymmetric unit. The structure displays O—H.O and C—H.O hydrogen bonding.
    Keywords Chemistry ; QD1-999
    Language English
    Publishing date 2010-07-01T00:00:00Z
    Publisher International Union of Crystallography
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  6. Article ; Online: 6,6′-Dimethoxy-2,2′-{[(E,E)-hydrazine-1,2-diylidene]bis(methanylylidene)}diphenol methanol disolvate

    Nicholas M. Randell / Laurence K. Thompson / Louise N. Dawe

    Acta Crystallographica Section E, Vol 68, Iss 9, Pp o2711-o

    2012  Volume 2711

    Abstract: The title compound, C16H16N2O4·2CH3OH, is a hydrazone in an E geometric arrangement, with an inversion centre at the mid-point of the N—N bond. A symmetry-related pair of six-membered hydrogen-bonded rings [graph-set motif S11(6)] are present for the ... ...

    Abstract The title compound, C16H16N2O4·2CH3OH, is a hydrazone in an E geometric arrangement, with an inversion centre at the mid-point of the N—N bond. A symmetry-related pair of six-membered hydrogen-bonded rings [graph-set motif S11(6)] are present for the terminal vanillin–imine moieties. Two lattice methanol solvent molecules are present per formula unit (Z′ = 1/2), which form hydrogen-bonded chains along [010] with two orientations due to disorder of the methanol H-atom.
    Keywords Chemistry ; QD1-999
    Language English
    Publishing date 2012-09-01T00:00:00Z
    Publisher International Union of Crystallography
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  7. Article ; Online: [2,2′-Iminodiethanolato(2−)-κ3O,N,O′][4-(methoxycarbonylmethyl)phenyl]boron

    Paris E. Georghiou / Louise N. Dawe / Ahmed L. Zein

    Acta Crystallographica Section E, Vol 66, Iss 10, Pp o2646-o

    2010  Volume 2646

    Abstract: The title compound, C13H18BNO4, was readily obtained from the reaction of methyl 4-boronobenzene acetate with ethanolamine. A combination of intermolecular N—H.O hydrogen bonds and C—H.π interactions leads to the pairwise association of molecules. ...

    Abstract The title compound, C13H18BNO4, was readily obtained from the reaction of methyl 4-boronobenzene acetate with ethanolamine. A combination of intermolecular N—H.O hydrogen bonds and C—H.π interactions leads to the pairwise association of molecules.
    Keywords Chemistry ; QD1-999
    Language English
    Publishing date 2010-10-01T00:00:00Z
    Publisher International Union of Crystallography
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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