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Crystal structure of 2-amino-3-ethyl-4,5-di­hydro-1,3-thia­zol-3-ium 3-chloro­benzo­ate

The title salt, C(5)H(11)N(2)S(+)·C(7)H(4)ClO(2) (−), comprises a 2-amino-3-ethyl-4,5-di­hydro-1,3-thia­zol-3-ium cation in which the five-membered ring adopts an envelope conformation with the methyl­ene C adjacent to the S atom being the flap, and a planar 3-chloro­benzoate anion (r.m.s. deviation...

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Detalles Bibliográficos
Autores principales: Hizam, Sara Maira M., Yamin, Bohari M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4459344/
https://www.ncbi.nlm.nih.gov/pubmed/26090175
http://dx.doi.org/10.1107/S2056989015008385
Descripción
Sumario:The title salt, C(5)H(11)N(2)S(+)·C(7)H(4)ClO(2) (−), comprises a 2-amino-3-ethyl-4,5-di­hydro-1,3-thia­zol-3-ium cation in which the five-membered ring adopts an envelope conformation with the methyl­ene C adjacent to the S atom being the flap, and a planar 3-chloro­benzoate anion (r.m.s. deviation for the 10 non-H atoms = 0.021 Å). The most prominent feature of the crystal packing are N—H⋯O hydrogen bonds whereby the two amine H atoms bridge two carboxyl­ate O atoms resulting in the formation of a centrosymmetric 12-membered {⋯HNH⋯OCO}(2) synthon involving two cations and two anions. These aggregates are linked by C—H⋯O inter­actions to form a supra­molecular chain along the a-axis direction.