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2-[3-(1H-苯并咪唑-2-基)丙基]-1H-苯并咪唑-3-鎓 3,5-二羧基苯甲酸盐-苯-1,3,5-三羧酸-水(1/1/1)

2-[3-(1H-Benzimidazol-2-yl)prop-yl]-1H-benzimidazol-3-ium 3,5-dicarb-oxy-benzoate-benzene-1,3,5-tricarb-oxy-lic acid-water (1/1/1).

作者信息

Feng Guo-Dong, Jiang Luan

机构信息

Department of Chemistry and Chemical Engineering, Baoji University of Arts and Sciences, Baoji, Shaanxi 721007, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Oct 9;66(Pt 11):o2731. doi: 10.1107/S1600536810039139.

DOI:10.1107/S1600536810039139
PMID:21588940
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3009361/
Abstract

The title compound, C(17)H(17)N(4) (+)·C(9)H(5)O(6) (-)·C(9)H(6)O(6)·H(2)O, contains a protonated 2,2'-(1,3-propanedi-yl)bis-(1H-benzimidazole) cation, a deprotonated benzene-1,3,5-tricarb-oxy-lic acid anion, a neutral benzene-1,3,5-tricarb-oxy-lic acid mol-ecule and a water mol-ecule, which are linked together through N-H⋯O, O-H⋯O and weak C-H⋯O hydrogen bonds into almost double sheets parallel to (4). These hydrogen-bonded sheets are packed in the crystal with the formation of centrosymmetric voids of 25.5 Å(3), which are filled by the water mol-ecules.

摘要

标题化合物C(17)H(17)N(4) (+)·C(9)H(5)O(6) (-)·C(9)H(6)O(6)·H(2)O包含一个质子化的2,2'-(1,3-丙二基)双(1H-苯并咪唑)阳离子、一个去质子化的苯-1,3,5-三羧酸阴离子、一个中性的苯-1,3,5-三羧酸分子和一个水分子，它们通过N-H⋯O、O-H⋯O和弱C-H⋯O氢键连接在一起，形成几乎平行于(4)的双层结构。这些氢键连接的层在晶体中堆积，形成中心对称的25.5 Å(3)的空洞，由水分子填充。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/33fc/3009361/1dfd24cccdd1/e-66-o2731-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/33fc/3009361/e3148450e8ff/e-66-o2731-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/33fc/3009361/1dfd24cccdd1/e-66-o2731-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/33fc/3009361/e3148450e8ff/e-66-o2731-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/33fc/3009361/1dfd24cccdd1/e-66-o2731-fig2.jpg

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