3-甲基-6-三氯甲基-1,2,4-三唑并[3,4-b][1,3,4]噻二唑
3-Methyl-6-trichloro-methyl-1,2,4-triazolo[3,4-b][1,3,4]thia-diazole.
作者信息
Jia Wei-Min, Wang Zhi-Jian, Jia Xiao-Yu, Zhang Jing-Jing, Wang Wei
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):o1093. doi: 10.1107/S1600536811012748. Epub 2011 Apr 13.
Abstract
In the crystal structure of the title compound, C(5)H(3)Cl(3)N(4)S, two mol-ecules related by a centre of symmetry demonstrate extremely short inter-molecular S⋯N contacts of 2.783 (2) Å. The crystal packing also exhibits π-π inter-actions indicated by a short distance of 3.340 (1) Å between the centroids of the triazole rings of neighbouring mol-ecules.
摘要
在标题化合物C(5)H(3)Cl(3)N(4)S的晶体结构中，通过对称中心相关的两个分子表现出2.783(2) Å的极短分子间S⋯N接触。晶体堆积还表现出π-π相互作用，相邻分子三唑环质心之间的短距离为3.340(1) Å表明了这一点。
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