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1,3 - 二烯丙基 - 2 - 甲基 - 苯并咪唑溴化物二水合物

1,3-Diallyl-2-methyl-benzimidazolium bromide dihydrate.

作者信息

Ennajih Hamid, Bouhfid Rachid, Zouihri Hafid, Essassi El Mokhtar, Ng Seik Weng

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Sep 5;65(Pt 10):o2321. doi: 10.1107/S1600536809034175.

DOI:10.1107/S1600536809034175
PMID:21577792
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2970382/
Abstract

The bonds in the five-membered ring of the title hydrated salt, C(14)H(17)N(2) (+)·Br(-)·2H(2)O, are delocalized. The cation lies on a special position of m site symmetry such that the mirror plane passes through the imidazol-yl-methyl bond and is perpendicular to the plane of the cation. The anion lies on another special position of 2 site symmetry. The anion and uncoordinated water mol-ecule are linked into a chain by O-H⋯O hydrogen bonds. One of the water O atoms is disordered over two sites of equal occupancy.

摘要

标题水合盐C(14)H(17)N(2) (+)·Br(-)·2H(2)O的五元环中的键是离域的。阳离子位于m位点对称的特殊位置,使得镜面穿过咪唑基甲基键并垂直于阳离子平面。阴离子位于2位点对称的另一个特殊位置。阴离子和未配位的水分子通过O-H⋯O氢键连接成链。其中一个水分子的O原子在两个占有率相等的位置上无序分布。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4e55/2970382/90ce317efd86/e-65-o2321-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4e55/2970382/90ce317efd86/e-65-o2321-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4e55/2970382/90ce317efd86/e-65-o2321-fig1.jpg

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