6-Nitro-1,3-benzothiazole-2(3H)-thione

被引：1

作者：

Qiu, Qi-Ming ^{[1
]}

Cui, Yang-Zhe ^{[1
]}

Zhao, Yin-Hua ^{[1
]}

Jin, Qiong-Hua ^{[1
]}

Zhang, Cun-Lin ^{[2
]}

机构：

[1] Capital Normal Univ, Dept Chem, Beijing 100048, Peoples R China

[2] Capital Normal Univ, Dept Phys, Key Lab Terahertz Optoelect, Minist Educ, Beijing 100048, Peoples R China

来源：

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2013年 / 69卷

基金：

中国国家自然科学基金;

关键词：

data-to-parameter ratio = 12.1; mean σ(C-C) = 0.006 Å; R factor = 0.063; single-crystal X-ray study; T = 298 K; wR factor = 0.165;

D O I：

10.1107/S1600536812049719

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

In the title molecule, C7H4N2O2S2, the nitro group is twisted by 5.5 (1)degrees from the plane of the attached benzene ring. In the crystal, N-HS hydrogen bonds link pairs of molecules into inversion dimers, which are linked by weak C-H O interactions into sheets parallel to (101). The crystal packing exhibits short intermolecular SO contacts of 3.054 (4) angstrom and pi-pi interactions of 3.588 (5) A between the centroids of the five-and six-membered rings of neighbouring molecules.

引用

页码：O171 / +

页数：6

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