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消旋-4-氨基-1-(2-苯甲酰基-1-苯基-乙基)-3-甲基-1H-1,2,4-三唑-5(4H)-硫酮

rac-4-Amino-1-(2-benzoyl-1-phenyl-eth-yl)-3-methyl-1H-1,2,4-triazole-5(4H)-thione.

作者信息

Wang Wei, Gao Yan, Xiao Zuo-Bing, Yao Hong-Guo, Zhang Jing-Jing

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Jan 12;67(Pt 2):o348. doi: 10.1107/S1600536810054255.

DOI:10.1107/S1600536810054255
PMID:21523029
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3051463/
Abstract

The title compound, C(18)H(18)N(4)OS, has an almost planar 1,2,4-triazole ring [r.m.s. deviation = 0.0036 (2) Å], which makes dihedral angles of 78.5 (2) and 77.6 (11)° with the two phenyl rings. An intra-molecular N-H⋯S inter-action occurs. In the crystal, mol-ecules are linked by an inter-molecular three-centre N-H⋯(O,S) cyclic hydrogen-bonding inter-action.

摘要

标题化合物C(18)H(18)N(4)OS具有一个近乎平面的1,2,4 - 三唑环[r.m.s.偏差 = 0.0036 (2) Å]，该环与两个苯环的二面角分别为78.5 (2)°和77.6 (11)°。分子内存在N - H⋯S相互作用。在晶体中，分子通过分子间三中心N - H⋯(O,S)环状氢键相互作用连接。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5706/3051463/37ba91fd5b21/e-67-0o348-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5706/3051463/37ba91fd5b21/e-67-0o348-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5706/3051463/37ba91fd5b21/e-67-0o348-fig1.jpg

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