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

Theasymmetric unit of the title salt, C(19)H(17)N(2)S(+)·Cl(−)·0.75H(2)O, 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...

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Detalles Bibliográficos
Autores principales: Guo-Li, Huang, Bo, Liu, Jun-Feng, Kou
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3793749/
https://www.ncbi.nlm.nih.gov/pubmed/24109336
http://dx.doi.org/10.1107/S1600536813018795
Descripción
Sumario:Theasymmetric unit of the title salt, C(19)H(17)N(2)S(+)·Cl(−)·0.75H(2)O, 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 π–π 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.