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1,1'-(对苯二亚甲基)二咪唑-3-鎓 双-{2-[(2-羧基苯基)二硫烷基]苯甲酸酯} 二水合物

1,1'-(p-Phenyl-enedimethyl-idene)diimidazol-3-ium bis-{2-[(2-carb-oxy-phen-yl)disulfan-yl]benzoate} dihydrate.

作者信息

Liu Zhengming, Liu Qiang, Yuan Limin, Liu Wenlong

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Nov 20;66(Pt 12):o3230. doi: 10.1107/S1600536810047021.

DOI:10.1107/S1600536810047021
PMID:21589520
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3011651/
Abstract

The title salt, C(14)H(16)N(4) (2+)·2C(14)H(9)O(4)S(2) (-)·2H(2)O, was obtained by the co-crystalization of 2,2'-dithio-dibenzoic acid with 1,4-bis-(imidazol-1-ylmeth-yl)benzene. It consists of 2-[(2-carb-oxy-phen-yl)disulfan-yl]benzoate anions, centrosymmetric 1,1'-(p-phenyl-enedimethyl-idene)diimidazol-3-ium cations and water mol-ecules. O-H⋯O, O-H⋯S and N-H⋯O hydrogen-bonding inter-actions among the components lead to the formation of a three-dimensional network.

摘要

标题盐C(14)H(16)N(4)(2+)·2C(14)H(9)O(4)S(2)(-)·2H(2)O是通过2,2'-二硫代二苯甲酸与1,4-双-(咪唑-1-基甲基)苯共结晶得到的。它由2-[(2-羧基苯基)二硫烷基]苯甲酸根阴离子、中心对称的1,1'-(对苯二甲叉基)二咪唑-3-鎓阳离子和水分子组成。各组分之间的O-H⋯O、O-H⋯S和N-H⋯O氢键相互作用导致形成三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/115d/3011651/5a9b7e7b5d5c/e-66-o3230-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/115d/3011651/a1d087e2556d/e-66-o3230-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/115d/3011651/5a9b7e7b5d5c/e-66-o3230-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/115d/3011651/a1d087e2556d/e-66-o3230-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/115d/3011651/5a9b7e7b5d5c/e-66-o3230-fig2.jpg

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