The title molecular salt, C 13 H 11 N 2 O + ·Cl - ·H 2 O, 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 . 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. © González-Padilla 2013 et al.
|Original language||American English|
|Journal||Acta Crystallographica Section E: Structure Reports Online|
|State||Published - 1 Sep 2013|
González-Padilla, J. E., Rosales-Hernández, M. C., Padilla-Martínez, I. I., García-Báez, E. V., & Rojas-Lima, S. (2013). 2-(4-hydroxyphenyl)-1H-benzimidazol-3-ium chloride monohydrate. Acta Crystallographica Section E: Structure Reports Online. https://doi.org/10.1107/S1600536813023441