Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 8 (August 2013)

organic compounds

Acta Cryst. (2013). E69, o1247-o1248    [ doi:10.1107/S1600536813018795 ]

7-Benzyl-3-methyl-6-phenyl­imidazo[2,1-b][1,3]thia­zol-7-ium chloride 0.75-hydrate

H. Guo-Li, L. Bo and K. Jun-Feng

Abstract: Theasymmetric unit of the title salt, C19H17N2S+·Cl-·0.75H2O, contains two symmetrically independent formula units of the carbenium salt along with three water mol­ecules. The water mol­ecules are only 50% occupated, and one of them is positioned in a hydro­phobic pocket not forming any hydrogen bonds. The conformation of the independent cations is very similar, with dihedral angles of 61.0 (2) and 61.5 (3)° between the benzene rings. They form quasi-centrosymmetric couples via [pi]-[pi] stacking inter­actions between the benzene and imidazo[2,1-b]thia­zole rings [centroid-centroid distances = 3.718 (3) and 3.663 (3) Å]. In the crystal, O-H...Cl hydrogen bonds lead to the formation of a helical anion-water chain along the c-axis direction. The cations connect to the anion-water chain through C-H...Cl inter­actions, generating a three-dimensional supra­molecular network. O-H...S hydrogen bonds and C-H...O inter­actions also occur.

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