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4-氯-2-[1-(4-乙基-苯基)-4,5-二苯基-1-咪唑-2-基]苯酚

4-Chloro-2-[1-(4-ethyl-phen-yl)-4,5-diphenyl-1-imidazol-2-yl]phenol.

作者信息

Shraddha K N, Devika S, Begum Noor Shahina

机构信息

Department of Studies in Chemistry, Bangalore University, Jnana Bharathi Campus, Bangalore 560 056, Karnataka, India.

出版信息

IUCrdata. 2020 Jan 3;5(Pt 1):x191690. doi: 10.1107/S2414314619016900. eCollection 2020 Jan.

DOI:10.1107/S2414314619016900
PMID:36337716
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9462148/
Abstract

In the title compound, CHClNO, the 5-chloro-phenol ring and the imidazole ring are nearly coplanar, with a dihedral angle of 15.76 (9)° between them. The ethyl-phenyl ring and the two phenyl rings subtend angles of 71.09 (7), 43.95 (5) and 36.53 (9)°, respectively, with the imidazole plane. An intra-molecular O-H⋯N hydrogen bond supports the mol-ecular conformation, and an inter-molecular C-H⋯O inter-action, originating from an -phenyl H atom, stabilizes the packing arrangement. In addition, a weak C-H⋯π inter-action, also involving an -phenyl H atom, is observed.

摘要

在标题化合物CHClNO中，5-氯苯酚环和咪唑环几乎共面，它们之间的二面角为15.76 (9)°。乙基苯环和两个苯环与咪唑平面分别呈71.09 (7)°、43.95 (5)°和36.53 (9)°的夹角。分子内的O-H⋯N氢键支撑着分子构象，源自苯环上一个H原子的分子间C-H⋯O相互作用稳定了堆积排列。此外，还观察到一个同样涉及苯环上一个H原子的弱C-H⋯π相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b046/9462148/329267c51f1f/x-05-x191690-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b046/9462148/d73a598e7a53/x-05-x191690-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b046/9462148/329267c51f1f/x-05-x191690-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b046/9462148/d73a598e7a53/x-05-x191690-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b046/9462148/329267c51f1f/x-05-x191690-fig2.jpg

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