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2-Thio-ureido-1H-benzimidazol-3-ium chloride monohydrate.

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 benzo-imidazole ring system and the thio-urea 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. ?-? stacking is observed between the benzene and imidazole rings of neighbouring mol-ecules, the centroid-centroid distance being 3.5774?(11)?Å.

SUBMITTER: Sundaresan CN

PROVIDER: S-EPMC4011228 | biostudies-literature | 2014 May

REPOSITORIES: biostudies-literature

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2-Thio-ureido-1H-benzimidazol-3-ium chloride monohydrate.

Sundaresan C N CN Singh Dheeraj Kumar DK Nanubolu Jagadeesh Babu JB

Acta crystallographica. Section E, Structure reports online 20140416 Pt 5

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 benzo-imidazole ring system and the thio-urea 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 mol-ecules, the centroid-centroid distance being 3.577 ...[more]

PMID: 24860361

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