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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...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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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 |
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. |
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