2-(4-Hy-droxy-phen-yl)-1H-benzimidazol-3-ium chloride monohydrate.

ABSTRACT: The title mol-ecular 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 mol-ecule and the chloride anion, which form a diamond core, giving rise to the formation of two-dimensional networks lying parallel to (10-2). Two ?-? inter-actions 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 mol-ecule and the phenol substituent on the benzimidazole unit links the networks, forming a three-dimensional structure.

SUBMITTER: Gonzalez-Padilla JE 

PROVIDER: S-EPMC3884505 | biostudies-other | 2013

REPOSITORIES: biostudies-other