Crystal structure of 4-(2-chlorophenyl)-3-(4-methoxyphenyl)-1,2,4-triazole-5-thione

被引：0
|
作者：
Kumaran, D
Ponnuswamy, MN
Jayanthi, G
Ramakrishnan, VT
Panneerselvam, K
Soriano-Garcia, M
机构：
[1] Univ Madras, Dept Crystallog & Biophys, Chennai 600025, India
[2] Univ Madras, Dept Organ Chem, Chennai 600025, India
[3] Natl Autonomous Univ Mexico, Inst Quim, Mexico City 04510, DF, Mexico
来源：
CRYSTAL RESEARCH AND TECHNOLOGY | 2000年 / 35卷 / 02期
关键词：
D O I：
10.1002/(SICI)1521-4079(200002)35:2<239::AID-CRAT239>3.0.CO;2-9
中图分类号：
O7 [晶体学];
学科分类号：
0702 ; 070205 ; 0703 ; 080501 ;
摘要：
The title compound (C-15 H-12 N3OSCl) crystallizes in the monoclinic space group P2(1)/n with a = 11.211(3), b = 8.106(2), c = 17.494(4) Angstrom, beta = 104.49(2)degrees, V = 1539.2(7) Angstrom(3), Z = 4, D-cal = 1.371 Mg/m(3) at T = 293 K. The structure was solved by direct methods and refined by full-matrix least-squares procedures to final R = 0.046 and wR = 0.127 using 2185 reflections. The triazole ring is planar. The chlorophenyl ring is approximately perpendicular to the triazole ring whereas methoxy phenyl ring makes an angle of 154.2(1)degrees with it. The structure is stabilized by N-H ... S type of hydrogen bonds in addition to van der Waals forces.
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页码：239 / 243
页数：5
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