X-ray Structure Analysis Online
Online ISSN : 1883-3578
ISSN-L : 1883-3578
28 巻
選択された号の論文の44件中1~44を表示しています
Part 1
Part 2
Part 3
Part 4
Part 5
Part 6
Part 7
Part 8
Part 9
Part 10
Part 11
Part 12
  • Gurvinder KOUR, Akshit KUMAR, Inderjeet KOUR, Gurpreet KOUR, Renu SACH ...
    2012 年 28 巻 p. 85-86
    発行日: 2012年
    公開日: 2012/12/21
    ジャーナル フリー
    電子付録
    The title compound, bis(O-n-butyldithiocarbonato-S,S')(1,10-phenanthroline) manganese(II): Mn(S2COCH2CH2CH2CH3)2-(1,10-phenanthroline), crystallizes in the monoclinic space group C2/c with the following unit-cell parameters: a = 6.6626(3)Å, b = 18.9127(6)Å, c = 20.5778(10)Å, β = 97.773(4)°, Z = 4. The crystal structure was solved by direct methods, and refined by full-matrix least-squares procedures to a final R-value of 0.0464 for 1892 observed reflections. In the title molecular complex, the butyl chain is disordered over two sets of sites, with occupancy ratios of 0.54(2): 0.46(2). The crystal structure is stabilized with the help of π-π interactions between neighbouring pyridine rings, with a centroid-to-centroid distance of 3.849 Å. The adduct is found to exhibit a distorted octahedral coordination geometry based on a N2S4 donor set with Mn2+ located at the centre.
  • I. MANOLOV, Bernd MORGENSTERN, Kaspar HEGETSCHWEILER
    2012 年 28 巻 p. 87-88
    発行日: 2012年
    公開日: 2012/12/21
    ジャーナル フリー
    電子付録
    The structure of 4-hydroxy-3-[(2-oxo-2H-chromen-3-yl)-(3,4-dihydroxyphenyl)-methyl]-chromen-2-one-ethanol solvate was determined by single crystal X-ray crystallography. The compound crystallizes as colourless prisms in the monoclinic crystal system, space group P21/n with cell constants: a = 11.6002(11)Å, b = 10.1208(10)Å, c = 19.2221(19)Å, β = 96.659(5)°, V = 2241.5(4)Å3, Z = 4. The 4-hydroxycoumarin fragments form intramolecular hydrogen bonds between hydroxy and carbonyl groups, whereas intermolecular hydrogen bonds connect two molecules via the hydroxy group of an ethanol molecule of the solvent. π-π stacking is observed between the 3,4-dihydroxyphenyl unit of a distinct molecule and two 4-hydroxycoumarin units of corresponding neighbours.
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