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1-(2-羟乙基)-2-苯基-1H-苯并咪唑-5-羧酸乙酯

Ethyl 1-(2-hy-droxy-eth-yl)-2-phenyl-1H-benzimidazole-5-carboxyl-ate.

作者信息

Hamzah Nurasyikin, Abd Hamid Shafida, Abdul Rahim Aisyah Saad, Rosli Mohd Mustaqim, Fun Hoong-Kun

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Jun 26;66(Pt 7):o1824-5. doi: 10.1107/S1600536810023639.

DOI:10.1107/S1600536810023639
PMID:21588031
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3006730/
Abstract

There are two mol-ecules in the asymmetric unit of the title compound, C(18)H(18)N(2)O(3). In each one, the benzimidazole ring system is essentially planar, with maximum deviations of 0.027 (1) and 0.032 (1)Å, and makes dihedral angles of 38.64 (6) and 41.48 (6)°, respectively, with the attached benzene rings. An intra-molecular C-H⋯O hydrogen bond is observed in each mol-ecule. The two independent mol-ecules are connected into a dimer by two inter-molecular O-H⋯N hydrogen bonds. In the crystal, mol-ecules form a two-dimensional layers parallel to (012) via weak inter-molecular C-H⋯O hydrogen bonds. In addition, weak π-π stacking inter-actions are observed with centroid-centroid distances of 3.5244 (12) and 3.6189 (12) Å.

摘要

标题化合物C(18)H(18)N(2)O(3)的不对称单元中有两个分子。在每个分子中,苯并咪唑环系基本呈平面状,最大偏差分别为0.027 (1)和0.032 (1)Å,并且分别与相连的苯环形成38.64 (6)和41.48 (6)°的二面角。在每个分子中均观察到分子内C-H⋯O氢键。两个独立的分子通过两个分子间O-H⋯N氢键连接成二聚体。在晶体中,分子通过弱的分子间C-H⋯O氢键形成平行于(012)的二维层。此外,观察到弱的π-π堆积相互作用,质心间距为3.5244 (12)和3.6189 (12) Å。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3280/3006730/b5565c25389d/e-66-o1824-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3280/3006730/fc3cb9f778b8/e-66-o1824-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3280/3006730/b5565c25389d/e-66-o1824-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3280/3006730/fc3cb9f778b8/e-66-o1824-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3280/3006730/b5565c25389d/e-66-o1824-fig2.jpg

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