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

Acta Crystallographica Section E: Crystallographic Communications

Hizam, S.M.M.¹  Yamin, B.M.¹ 

[1] School of Chemical Sciences and Food Technology, Universiti Kebangsaan Malaysia, 43600 Bangi, Selangor D.E., Malaysia

关键词: CRYSTAL STRUCTURE;    SALT;    3-CHLOROBENZOATE ANION;    2-AMINO-3-ETHYL-4,5-DIHYDRO-1,3-THIAZOL-3-IUM CATION;    HYDROGEN BONDING;   

DOI  :  10.1107/S2056989015008385

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

The title salt, C5H11N2S+·C7H4ClO2−, 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.

【 授权许可】

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