4,9,12,15-Tetraoxa-3,5,8,10,14,16-hexa-azatetracyclo[11.3.0.0(2,6).0(7,11)]hexadeca-1(16),2,5,7,10,13-hexaen-3-ium-3-olate monohydrate

被引：2

作者：

Zhou, Yan-Shui ^{[1
]}

Wang, Bo-Zhou ^{[1
]}

Xu, Kang-Zhen ^{[2
]}

机构：

[1] Xian Modern Chem Res Inst, Xian 710065, Shaanxi, Peoples R China

[2] Northwest Univ, Sch Chem Engn, Xian 710069, Shaanxi, Peoples R China

来源：

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2012年 / 68卷

关键词：

data-to-parameter ratio = 12.5; mean σ(C-C) = 0.002 Å; R factor = 0.036; single-crystal X-ray study; T = 296 K; wR factor = 0.097;

D O I：

10.1107/S160053681200774X

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

The organic mol-ecule in the title monohydrate, C 6N 6O 5·H 2O, presents an almost planar configuration, the greatest deviation from the least-squares plane through the atoms being 0.061 (1) Å for the O atom within the seven-membered ring. Each water H atom is bifurcated, one forming two O - H⋯N hydrogen bonds and the other forming O- H⋯N,O hydrogen bonds. The result of the hydrogen bonding is the formation of supra-molecular layers with a zigzag topology that stack along [001].

引用

页码：O869 / U3172

页数：6

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