3-(2-Methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate monohydrate

被引：1
|
作者：
Zhang, Guo-Cui [1 ,2 ]
Kong, Ming [1 ,2 ]
Li, Sheng-Li [1 ,2 ]
机构：
[1] Anhui Univ, Dept Chem, Hefei 230039, Anhui, Peoples R China
[2] Key Lab Funct Inorgan Mat Chem, Hefei 230039, Anhui, Peoples R China
来源：
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2014年 / 70卷
关键词：
D O I：
10.1107/S1600536814011660
中图分类号：
O7 [晶体学];
学科分类号：
0702 ; 070205 ; 0703 ; 080501 ;
摘要：
In the title hydrated zwitterion, C11H13NO3S2 center dot H2O, the N-C-C-C and C-C-C-S torsion angles in the side-chain are 171.06 (14) and 173.73 (12)degrees, respectively. In the crystal, inversion-related molecules are pi-stacked with an interplanar separation of 3.3847 (2) angstrom. O-H center dot center dot center dot O hydrogen bonds link inversion-related molecules with a pair of water molecules to form R-4(2) (8) rings. The closest S center dot center dot center dot S contact is 3.4051 (15) angstrom between inversion-related molecules.
引用
收藏
页码：O714 / +
页数：8
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