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

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ID: 96138
2013
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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.
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gonz225lezpadilla201324hydroxyphenyl1hbenzimidazol3iumacta Use this key to autocite in the manuscript while using SciMatic Manuscript Manager or Thesis Manager
Authors González-Padilla, Jazmin E.;Rosales-Hernández, Martha Cecila;Padilla-Martínez, Itzia I.;García-Báez, Efren V.;Rojas-Lima, Susana;
Journal acta crystallographica section e
Year 2013
DOI
DOI not found
URL
http://scripts.iucr.org/cgi-bin/paper?S1600536813023441
Keywords
chemistry Pharmacy and materia medica Therapeutics. Pharmacology Biology (General) Chemical technology Engineering (General). Civil engineering (General) Science (General) Science nutrition. foods and food supply

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