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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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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