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

Jazmin E. González-Padilla, Martha Cecila Rosales-Hernández, Itzia I. Padilla-Martínez, Efren V. García-Báez, Susana Rojas-Lima

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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 [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. © González-Padilla 2013 et al.
Original languageAmerican English
JournalActa Crystallographica Section E: Structure Reports Online
StatePublished - 1 Sep 2013


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