Crystal structure and Hirshfeld surface analysis of a new benzimidazole compound, 3-{1-[(2-hy-droxyphen-yl)meth-yl]-1 H-1,3-benzo-diazol-2-yl}phenol

新型苯并咪唑化合物 3-{1-[(2-羟基苯基)甲基]-1 H-1,3-苯并二唑-2-基}苯酚的晶体结构和 Hirshfeld 表面分析

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作者:Zakaria Bouhidel, Kaouther Sahli, Aouatef Cherouana

Abstract

The title compound, C20H16N2O2, is composed of two monosubstituted benzene rings and one benzimidazole unit. The benzimidazole moiety subtends dihedral angles of 46.16 (7) and 77.45 (8)° with the benzene rings, which themselves form a dihedral angle of 54.34 (9)°. The crystal structure features O-H⋯N and O-H⋯O hydrogen-bonding inter-actions, which together lead to the formation of two-dimensional hydrogen-bonded layers parallel to the (101) plane. In addition, π-π inter-actions also contribute to the crystal cohesion. Hirshfeld surface analysis indicates that the most significant contacts in the crystal packing are: H⋯H (47.5%), O⋯H/H⋯O (12.4%), N⋯H/H⋯N (6.1%), C⋯H/H⋯C (27.6%) and C⋯C (4.6%).

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