2-(4-Hydroxyphenyl)-1H-benzimidazol-3-ium chloride monohydrate

Abstract

The title mol­ecular salt, C13H11N2O+·Cl−·H2O, crystallizes as a monohydrate. In the cation, the phenol and benzimidazole rings are almost coplanar, making a dihedral angle of 3.18 (4)°. The chloride anion and benzimidazole cation are linked by two N+—H⋯Cl− hydrogen bonds, forming chains propagating along [010]. These chains are linked through O—H⋯Cl hydrogen bonds involving the water mol­ecule and the chloride anion, which form a diamond core, giving rise to the formation of two-dimensional networks lying parallel to (10-2). Two π–π inter­actions involving the imidazolium ring with the benzene and phenol rings [centroid–centroid distances = 3.859 (3) and 3.602 (3) Å, respectively], contribute to this second dimension. A strong O—H⋯O hydrogen bond involving the water mol­ecule and the phenol substituent on the benzimidazole unit links the networks, forming a three-dimensional structure.

Crystal structure of a new polymorph of 3-acetyl-8-methoxy-2H-chromen-2-one

“…The disposition of the crystalline lattices of coumarin derivatives is driven by a great variety of intermolecular interactions (Santos-Contreras et al, 2009). This working group has reported the participation ofstacking interactions, hydrogen-bonding and dipole-dipole interactions involving the carbonyl group (Gó mez-Castro et al, 2014) in the determination of the 1D, 2D and 3D supramolecular assemblies of crystalline structures for different compounds (Gonzá lez-Padilla et al, 2014). This report describes the structure of a second polymorph of the title compound and the importance of C-HÁ Á ÁO, C OÁ Á ÁC O andstacking intermolecular interactions in crystal packing.…”