2-Thioureido-1H-benzimidazol-3-ium chloride monohydrate

In the title compound, C8H9N4S+·Cl−·H2O, the cation is approximately planar, with a dihedral angle of 7.71 (8)° between the mean planes of the benzoimidazole ring system and the thiourea unit. In the crystal, cations, anions and water molecules of crystallization are linked by O—H...Cl, N—H...O, N—H...

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Bibliographic Details
Published in:Acta crystallographica. Section E, Structure reports online Structure reports online, 2014-05, Vol.70 (5), p.o553-o553
Main Authors: C. N. Sundaresan, Dheeraj Kumar Singh, Jagadeesh Babu Nanubolu
Format: Article
Language:English
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Summary:In the title compound, C8H9N4S+·Cl−·H2O, the cation is approximately planar, with a dihedral angle of 7.71 (8)° between the mean planes of the benzoimidazole ring system and the thiourea unit. In the crystal, cations, anions and water molecules of crystallization are linked by O—H...Cl, N—H...O, N—H...Cl and N—H...S hydrogen bonds into a three-dimensional network. π–π stacking is observed between the benzene and imidazole rings of neighbouring molecules, the centroid–centroid distance being 3.5774 (11) Å.
ISSN:1600-5368
1600-5368
DOI:10.1107/S1600536814006837