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2-（4-氟苯基）-1-苯基-1H-苯并咪唑

2-(4-Fluoro-phen-yl)-1-phenyl-1H-benzimidazole.

作者信息

Jayamoorthy K, Rosepriya S, Thiruvalluvar A, Jayabharathi J, Butcher R J

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Sep 1;68(Pt 9):o2708. doi: 10.1107/S1600536812035155. Epub 2012 Aug 15.

DOI:10.1107/S1600536812035155
PMID:22969596
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3435725/
Abstract

In the title mol-ecule, C(19)H(13)FN(2), the benzimidazole unit is close to planar [maximum deviation = 0.0342 (9) Å] and forms dihedral angles of 58.94 (3) and 51.43 (3)° with the phenyl and fluoro-benzene rings, respectively; the dihedral angle between the phenyl and fluoro-benzene rings is 60.17 (6)°. In the crystal, three C-H⋯F hydrogen bonds and two weak C-H⋯π inter-actions involving the fused benzene ring lead to a three-dimensional architecture.

摘要

在标题分子C(19)H(13)FN(2)中，苯并咪唑单元接近平面结构[最大偏差 = 0.0342 (9) Å]，分别与苯环和氟苯环形成58.94 (3)°和51.43 (3)°的二面角；苯环和氟苯环之间的二面角为60.17 (6)°。在晶体中，三个C—H⋯F氢键和两个涉及稠合苯环的弱C—H⋯π相互作用导致形成三维结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6087/3435725/171a180d7fa7/e-68-o2708-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6087/3435725/1139868525cf/e-68-o2708-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6087/3435725/171a180d7fa7/e-68-o2708-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6087/3435725/1139868525cf/e-68-o2708-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6087/3435725/171a180d7fa7/e-68-o2708-fig2.jpg

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