5-Acetyl-3-(5-phenyl-1H-pyrazol-3-yl)-1,3,4-thia­diazol-2(3H)-one monohydrate

In the title hydrate, C(13)H(10)N(4)O(2)S·H(2)O, the dihedral angles between the central pyrazole ring and its pendant phenyl and thia­diazole rings are 9.93 (8) and 4.56 (7)°, respectively. In the crystal, the components are linked by N—H⋯O, O—H⋯N and O—H⋯O hydrogen bonds, generating [100] chains i...

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Detalles Bibliográficos
Autores principales: Asiri, Abdullah M., Arshad, Muhammad Nadeem, Obaid, Abdullah Y., Mustafa, Ghulam
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3648319/
https://www.ncbi.nlm.nih.gov/pubmed/23723939
http://dx.doi.org/10.1107/S1600536813010817
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author Asiri, Abdullah M.
Arshad, Muhammad Nadeem
Obaid, Abdullah Y.
Mustafa, Ghulam
author_facet Asiri, Abdullah M.
Arshad, Muhammad Nadeem
Obaid, Abdullah Y.
Mustafa, Ghulam
author_sort Asiri, Abdullah M.
collection PubMed
description In the title hydrate, C(13)H(10)N(4)O(2)S·H(2)O, the dihedral angles between the central pyrazole ring and its pendant phenyl and thia­diazole rings are 9.93 (8) and 4.56 (7)°, respectively. In the crystal, the components are linked by N—H⋯O, O—H⋯N and O—H⋯O hydrogen bonds, generating [100] chains incorporating R (4) (4)(10) loops. A weak C—H⋯O inter­action helps to consolidate the packing.
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spelling pubmed-36483192013-05-30 5-Acetyl-3-(5-phenyl-1H-pyrazol-3-yl)-1,3,4-thia­diazol-2(3H)-one monohydrate Asiri, Abdullah M. Arshad, Muhammad Nadeem Obaid, Abdullah Y. Mustafa, Ghulam Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title hydrate, C(13)H(10)N(4)O(2)S·H(2)O, the dihedral angles between the central pyrazole ring and its pendant phenyl and thia­diazole rings are 9.93 (8) and 4.56 (7)°, respectively. In the crystal, the components are linked by N—H⋯O, O—H⋯N and O—H⋯O hydrogen bonds, generating [100] chains incorporating R (4) (4)(10) loops. A weak C—H⋯O inter­action helps to consolidate the packing. International Union of Crystallography 2013-04-27 /pmc/articles/PMC3648319/ /pubmed/23723939 http://dx.doi.org/10.1107/S1600536813010817 Text en © Asiri et al. 2013 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
Asiri, Abdullah M.
Arshad, Muhammad Nadeem
Obaid, Abdullah Y.
Mustafa, Ghulam
5-Acetyl-3-(5-phenyl-1H-pyrazol-3-yl)-1,3,4-thia­diazol-2(3H)-one monohydrate
title 5-Acetyl-3-(5-phenyl-1H-pyrazol-3-yl)-1,3,4-thia­diazol-2(3H)-one monohydrate
title_full 5-Acetyl-3-(5-phenyl-1H-pyrazol-3-yl)-1,3,4-thia­diazol-2(3H)-one monohydrate
title_fullStr 5-Acetyl-3-(5-phenyl-1H-pyrazol-3-yl)-1,3,4-thia­diazol-2(3H)-one monohydrate
title_full_unstemmed 5-Acetyl-3-(5-phenyl-1H-pyrazol-3-yl)-1,3,4-thia­diazol-2(3H)-one monohydrate
title_short 5-Acetyl-3-(5-phenyl-1H-pyrazol-3-yl)-1,3,4-thia­diazol-2(3H)-one monohydrate
title_sort 5-acetyl-3-(5-phenyl-1h-pyrazol-3-yl)-1,3,4-thia­diazol-2(3h)-one monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3648319/
https://www.ncbi.nlm.nih.gov/pubmed/23723939
http://dx.doi.org/10.1107/S1600536813010817
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