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

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 ch...

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Detalles Bibliográficos
Autores principales: González-Padilla, Jazmin E., Rosales-Hernández, Martha Cecila, Padilla-Martínez, Itzia I., García-Báez, Efren V., Rojas-Lima, Susana
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3884505/
https://www.ncbi.nlm.nih.gov/pubmed/24427105
http://dx.doi.org/10.1107/S1600536813023441
Descripción
Sumario: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.