Ethyl 4-benzamido-5-phenyl-4H-1,2,4-triazole-3-carboxyl­ate monohydrate

In the title compound, C(18)H(16)N(4)O(3)·H(2)O, the dihedral angles between the triazole ring and the phenyl rings are 84.8 (4) and and 39.8 (4)°. The phenyl rings make a dihedral angle of 84.5 (9)°. In the crystal, the molecules are linked by N—H⋯O and O—H⋯N hydrogen bonds. An intra­molecular O⋯N...

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Detalles Bibliográficos
Autores principales: Wang, Li, Liu, Xue-Ying, Wang, Ping-An, Liu, Peng, Zhang, Sheng-Yong
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3100036/
https://www.ncbi.nlm.nih.gov/pubmed/21754215
http://dx.doi.org/10.1107/S1600536811009998
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author Wang, Li
Liu, Xue-Ying
Wang, Ping-An
Liu, Peng
Zhang, Sheng-Yong
author_facet Wang, Li
Liu, Xue-Ying
Wang, Ping-An
Liu, Peng
Zhang, Sheng-Yong
author_sort Wang, Li
collection PubMed
description In the title compound, C(18)H(16)N(4)O(3)·H(2)O, the dihedral angles between the triazole ring and the phenyl rings are 84.8 (4) and and 39.8 (4)°. The phenyl rings make a dihedral angle of 84.5 (9)°. In the crystal, the molecules are linked by N—H⋯O and O—H⋯N hydrogen bonds. An intra­molecular O⋯N inter­action also occurs [2.827 (3) Å]
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spelling pubmed-31000362011-07-13 Ethyl 4-benzamido-5-phenyl-4H-1,2,4-triazole-3-carboxyl­ate monohydrate Wang, Li Liu, Xue-Ying Wang, Ping-An Liu, Peng Zhang, Sheng-Yong Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(18)H(16)N(4)O(3)·H(2)O, the dihedral angles between the triazole ring and the phenyl rings are 84.8 (4) and and 39.8 (4)°. The phenyl rings make a dihedral angle of 84.5 (9)°. In the crystal, the molecules are linked by N—H⋯O and O—H⋯N hydrogen bonds. An intra­molecular O⋯N inter­action also occurs [2.827 (3) Å] International Union of Crystallography 2011-03-23 /pmc/articles/PMC3100036/ /pubmed/21754215 http://dx.doi.org/10.1107/S1600536811009998 Text en © Wang et al. 2011 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
Wang, Li
Liu, Xue-Ying
Wang, Ping-An
Liu, Peng
Zhang, Sheng-Yong
Ethyl 4-benzamido-5-phenyl-4H-1,2,4-triazole-3-carboxyl­ate monohydrate
title Ethyl 4-benzamido-5-phenyl-4H-1,2,4-triazole-3-carboxyl­ate monohydrate
title_full Ethyl 4-benzamido-5-phenyl-4H-1,2,4-triazole-3-carboxyl­ate monohydrate
title_fullStr Ethyl 4-benzamido-5-phenyl-4H-1,2,4-triazole-3-carboxyl­ate monohydrate
title_full_unstemmed Ethyl 4-benzamido-5-phenyl-4H-1,2,4-triazole-3-carboxyl­ate monohydrate
title_short Ethyl 4-benzamido-5-phenyl-4H-1,2,4-triazole-3-carboxyl­ate monohydrate
title_sort ethyl 4-benzamido-5-phenyl-4h-1,2,4-triazole-3-carboxyl­ate monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3100036/
https://www.ncbi.nlm.nih.gov/pubmed/21754215
http://dx.doi.org/10.1107/S1600536811009998
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