Acta Crystallographica Section E

Structure Reports Online

Volume 70, Part 5 (May 2014)

organic compounds

xu5781 scheme

Acta Cryst. (2014). E70, o553    [ doi:10.1107/S1600536814006837 ]

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

C. N. Sundaresan, D. K. Singh and J. B. Nanubolu

Abstract: 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. [pi]-[pi] stacking is observed between the benzene and imidazole rings of neighbouring mol­ecules, the centroid-centroid distance being 3.5774 (11) Å.

CCDC reference: 994075

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