Cargando…
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: | , |
---|---|
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 |
_version_ | 1782375208543322112 |
---|---|
author | Hizam, Sara Maira M. Yamin, Bohari M. |
author_facet | Hizam, Sara Maira M. Yamin, Bohari M. |
author_sort | Hizam, Sara Maira M. |
collection | PubMed |
description | 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. |
format | Online Article Text |
id | pubmed-4459344 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-44593442015-06-18 Crystal structure of 2-amino-3-ethyl-4,5-dihydro-1,3-thiazol-3-ium 3-chlorobenzoate Hizam, Sara Maira M. Yamin, Bohari M. Acta Crystallogr E Crystallogr Commun Data Reports 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. International Union of Crystallography 2015-05-07 /pmc/articles/PMC4459344/ /pubmed/26090175 http://dx.doi.org/10.1107/S2056989015008385 Text en © Hizam and Yamin 2015 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Data Reports Hizam, Sara Maira M. Yamin, Bohari M. Crystal structure of 2-amino-3-ethyl-4,5-dihydro-1,3-thiazol-3-ium 3-chlorobenzoate |
title | Crystal structure of 2-amino-3-ethyl-4,5-dihydro-1,3-thiazol-3-ium 3-chlorobenzoate |
title_full | Crystal structure of 2-amino-3-ethyl-4,5-dihydro-1,3-thiazol-3-ium 3-chlorobenzoate |
title_fullStr | Crystal structure of 2-amino-3-ethyl-4,5-dihydro-1,3-thiazol-3-ium 3-chlorobenzoate |
title_full_unstemmed | Crystal structure of 2-amino-3-ethyl-4,5-dihydro-1,3-thiazol-3-ium 3-chlorobenzoate |
title_short | Crystal structure of 2-amino-3-ethyl-4,5-dihydro-1,3-thiazol-3-ium 3-chlorobenzoate |
title_sort | crystal structure of 2-amino-3-ethyl-4,5-dihydro-1,3-thiazol-3-ium 3-chlorobenzoate |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4459344/ https://www.ncbi.nlm.nih.gov/pubmed/26090175 http://dx.doi.org/10.1107/S2056989015008385 |
work_keys_str_mv | AT hizamsaramairam crystalstructureof2amino3ethyl45dihydro13thiazol3ium3chlorobenzoate AT yaminboharim crystalstructureof2amino3ethyl45dihydro13thiazol3ium3chlorobenzoate |