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1-(2-羟乙基)-2-(4-甲氧基苯基)-1H-苯并咪唑-5-羧酸乙酯一水合物

Ethyl 1-(2-hy-droxy-eth-yl)-2-(4-meth-oxy-phen-yl)-1H-benzimidazole-5-carboxyl-ate monohydrate.

作者信息

Arumugam Natarajan, Ngah Nurziana, Osman Hasnah, Abdul Rahim Aisyah Saad

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Feb 1;68(Pt 2):o421. doi: 10.1107/S1600536812001262. Epub 2012 Jan 18.

Abstract

In the title mol-ecule, C(19)H(20)N(2)O(4)·H(2)O, the benzimidazole ring system is essentially planar [maximum deviation = 0.013 (11) Å] and is inclined to the 4-meth-oxy-phenyl ring by 30.98 (5)°. In the crystal, O-H⋯O and O-H⋯N hydrogen bonds involving the water mol-ecule link neighbouring mol-ecules, forming a two-dimensional network lying parallel to the bc plane. There are also C-H⋯π and π-π inter-actions present. The latter involve inversion-related benzimidazole rings with centroid-centroid distances of 3.5552 (8) and 3.7466 (8) Å.

摘要

在标题分子C(19)H(20)N(2)O(4)·H(2)O中,苯并咪唑环系基本呈平面状[最大偏差 = 0.013 (11) Å],并与4-甲氧基苯基环倾斜30.98 (5)°。在晶体中,涉及水分子的O-H⋯O和O-H⋯N氢键连接相邻分子,形成平行于bc平面的二维网络。还存在C-H⋯π和π-π相互作用。后者涉及具有质心-质心距离为3.5552 (8)和3.7466 (8) Å的反演相关苯并咪唑环。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8243/3275179/412a782a5da3/e-68-0o421-fig1.jpg

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