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2-(4-溴苯基)-1-苯基-1H-苯并咪唑-5-羧酸乙酯

Ethyl 2-(4-bromo-phen-yl)-1-phenyl-1H-benzimidazole-5-carboxyl-ate.

作者信息

Yoon Yeong Keng, Ali Mohamed Ashraf, Choon Tan Soo, Arshad Suhana, Razak Ibrahim Abdul

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Jun 1;68(Pt 6):o1683. doi: 10.1107/S1600536812019897. Epub 2012 May 12.

DOI:10.1107/S1600536812019897
PMID:22719477
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3379279/
Abstract

In the title compound, C(22)H(17)BrN(2)O(2), the benzimidazole ring system is essentially planar, with a maximum deviation of 0.017 (1) Å, and forms dihedral angles of 27.79 (6) and 64.43 (6)° with the phenyl and bromo-substituted benzene rings, respectively. In the crystal, mol-ecules are linked into one-dimensional chains along the a axis by weak C-H⋯O hydrogen bonds. Weak inter-molecular C-H⋯π inter-actions are also present.

摘要

在标题化合物C₂₂H₁₇BrN₂O₂中，苯并咪唑环系基本呈平面状，最大偏差为0.017 (1) Å，与苯基和溴代苯环分别形成27.79 (6)°和64.43 (6)°的二面角。在晶体中，分子通过弱C—H⋯O氢键沿a轴连接成一维链。还存在弱的分子间C—H⋯π相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e5b5/3379279/01b2dcb7ef89/e-68-o1683-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e5b5/3379279/147ebef68dd4/e-68-o1683-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e5b5/3379279/01b2dcb7ef89/e-68-o1683-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e5b5/3379279/147ebef68dd4/e-68-o1683-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e5b5/3379279/01b2dcb7ef89/e-68-o1683-fig2.jpg

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