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
收藏
页码：O171 / +
页数：6
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