1,4-Bis(4H-1,2,4-triazol-4-yl) benzene dihydrate

被引：0
|
作者：
Wang, Xiu-Guang [1 ]
Li, Jian-Hui [2 ]
Ding, Bin [1 ]
Du, Gui-Xiang [1 ]
机构：
[1] Tianjin Normal Univ, Tianjin Key Lab Struct & Performance Funct Mol, Tianjin 300071, Peoples R China
[2] Pingdingshan Educ Inst, Pingdingshan 467000, Henan, Peoples R China
来源：
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2012年 / 68卷
关键词：
data-to-parameter ratio = 10.9; mean σ(C-C) = 0.004 Å; R factor = 0.055; single-crystal X-ray study; T = 173 K; wR factor = 0.129;
D O I：
10.1107/S1600536812029273
中图分类号：
O7 [晶体学];
学科分类号：
0702 ; 070205 ; 0703 ; 080501 ;
摘要：
The asymmetric unit of the title compound, C10H8N6 center dot 2H(2)O, comprises half the organic species, the molecule being completed by inversion symmetry, and one water molecule. The dihedral angle between the 1,2,4-triazole ring and the central benzene ring is 32.2 (2)degrees. The water molecules form O-H center dot center dot center dot N hydrogen bonds with N-atom acceptors of the triazole rings. C-H center dot center dot center dot N hydrogen bonds are also observed, giving a three-dimensional framework.
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页码：02394 / +
页数：7
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