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N-(1,3-Thiazol-2-yl)-N′-[(thiophen-2-yl)carbonyl]thiourea hemihydrate
The title compound, C(9)H(7)N(3)OS(3)·0.5H(2)O, crystallizes with two independent but similar molecules in the asymmetric unit, both of which are linked by a water molecule through O—H⋯N hydrogen bonds. In addition the water O atom is further linked by N—H⋯O hydrogen bonds to two additional main m...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588839/ https://www.ncbi.nlm.nih.gov/pubmed/23468804 http://dx.doi.org/10.1107/S160053681204500X |
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author | Singh, Durga Prasad Pratap, Seema Yildirim, Sema Öztürk Butcher, Ray J. |
author_facet | Singh, Durga Prasad Pratap, Seema Yildirim, Sema Öztürk Butcher, Ray J. |
author_sort | Singh, Durga Prasad |
collection | PubMed |
description | The title compound, C(9)H(7)N(3)OS(3)·0.5H(2)O, crystallizes with two independent but similar molecules in the asymmetric unit, both of which are linked by a water molecule through O—H⋯N hydrogen bonds. In addition the water O atom is further linked by N—H⋯O hydrogen bonds to two additional main molecules, forming a tetrameric unit. These tetrameric units then form infinite ribbons parallel to the ac plane.The dihedral angle between the thiophenoyl and thiazolyl rings is 12.15 (10) and 21.69 (11)° in molecules A and B, respectively. The central thiourea core makes dihedral angles of 5.77 (11) and 8.61 (9)°, respectively, with the thiophenoyl and thiazolyl rings in molecule A and 8.41 (10) and 13.43 (12)° in molecule B. Each molecule adopts a trans–cis geometry with respect to the position of thiophenoyl and thiazole groups relative to the S atom across the thiourea C—N bonds. This geometry is stabilized by intramolecular N—H⋯O hydrogen bonds. |
format | Online Article Text |
id | pubmed-3588839 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-35888392013-03-06 N-(1,3-Thiazol-2-yl)-N′-[(thiophen-2-yl)carbonyl]thiourea hemihydrate Singh, Durga Prasad Pratap, Seema Yildirim, Sema Öztürk Butcher, Ray J. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(9)H(7)N(3)OS(3)·0.5H(2)O, crystallizes with two independent but similar molecules in the asymmetric unit, both of which are linked by a water molecule through O—H⋯N hydrogen bonds. In addition the water O atom is further linked by N—H⋯O hydrogen bonds to two additional main molecules, forming a tetrameric unit. These tetrameric units then form infinite ribbons parallel to the ac plane.The dihedral angle between the thiophenoyl and thiazolyl rings is 12.15 (10) and 21.69 (11)° in molecules A and B, respectively. The central thiourea core makes dihedral angles of 5.77 (11) and 8.61 (9)°, respectively, with the thiophenoyl and thiazolyl rings in molecule A and 8.41 (10) and 13.43 (12)° in molecule B. Each molecule adopts a trans–cis geometry with respect to the position of thiophenoyl and thiazole groups relative to the S atom across the thiourea C—N bonds. This geometry is stabilized by intramolecular N—H⋯O hydrogen bonds. International Union of Crystallography 2012-11-07 /pmc/articles/PMC3588839/ /pubmed/23468804 http://dx.doi.org/10.1107/S160053681204500X Text en © Singh et al. 2012 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 | Organic Papers Singh, Durga Prasad Pratap, Seema Yildirim, Sema Öztürk Butcher, Ray J. N-(1,3-Thiazol-2-yl)-N′-[(thiophen-2-yl)carbonyl]thiourea hemihydrate |
title |
N-(1,3-Thiazol-2-yl)-N′-[(thiophen-2-yl)carbonyl]thiourea hemihydrate |
title_full |
N-(1,3-Thiazol-2-yl)-N′-[(thiophen-2-yl)carbonyl]thiourea hemihydrate |
title_fullStr |
N-(1,3-Thiazol-2-yl)-N′-[(thiophen-2-yl)carbonyl]thiourea hemihydrate |
title_full_unstemmed |
N-(1,3-Thiazol-2-yl)-N′-[(thiophen-2-yl)carbonyl]thiourea hemihydrate |
title_short |
N-(1,3-Thiazol-2-yl)-N′-[(thiophen-2-yl)carbonyl]thiourea hemihydrate |
title_sort | n-(1,3-thiazol-2-yl)-n′-[(thiophen-2-yl)carbonyl]thiourea hemihydrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588839/ https://www.ncbi.nlm.nih.gov/pubmed/23468804 http://dx.doi.org/10.1107/S160053681204500X |
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