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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...

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Autores principales: Singh, Durga Prasad, Pratap, Seema, Yildirim, Sema Öztürk, Butcher, Ray J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
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.
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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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