A synchrotron X-ray powder diffraction study of 4-(2,3,4-trifluorophenyl)-1,2,3,5-dithiadiazolyl. Crystal structure determination using a global optimisation method

被引：18
|
作者：
Bell, AMT
Smith, JNB
Attfield, JP
Rawson, JM
Shankland, K
David, WIF
机构：
[1] Univ Cambridge, Dept Chem, Cambridge CB2 1EW, England
[2] CCLRC Rutherford Appleton Lab, ISIS Facil, Didcot OX11 0QX, Oxon, England
来源：
NEW JOURNAL OF CHEMISTRY | 1999年 / 23卷 / 06期
关键词：
D O I：
10.1039/a902534k
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The crystal structure of the title compound, C6H2F3CNSSN, containing two independent molecules in the asymmetric unit, was determined from synchrotron powder X-ray diffraction data using a global optimisation model building method and confirmed using rigid-body Rietveld refinement; the asymmetric unit contains two independent molecules linked through intermolecular S ... S contacts at 3.25 and 3.30 Angstrom.
引用
收藏
页码：565 / 567
页数：3
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