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3,5-Bis(4-methoxy­phen­yl)-1H-1,2,4-triazole monohydrate

In the title compound, C(16)H(15)N(3)O(2)·H(2)O, the two benzene rings and the triazole ring lie almost in the same plane, the triazole ring forming dihedral angles of 5.07 (9) and 5.80 (8)° with the benzene rings. In the crystal, there are three relatively strong inter­molecular O—H⋯N and N—H⋯O hyd...

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Detalles Bibliográficos
Autores principales: Wang, Hai-Ying, Ma, Jian-Ping, Huang, Ru-Qi, Dong, Yu-Bin
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969559/
https://www.ncbi.nlm.nih.gov/pubmed/21583125
http://dx.doi.org/10.1107/S160053680901695X
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author Wang, Hai-Ying
Ma, Jian-Ping
Huang, Ru-Qi
Dong, Yu-Bin
author_facet Wang, Hai-Ying
Ma, Jian-Ping
Huang, Ru-Qi
Dong, Yu-Bin
author_sort Wang, Hai-Ying
collection PubMed
description In the title compound, C(16)H(15)N(3)O(2)·H(2)O, the two benzene rings and the triazole ring lie almost in the same plane, the triazole ring forming dihedral angles of 5.07 (9) and 5.80 (8)° with the benzene rings. In the crystal, there are three relatively strong inter­molecular O—H⋯N and N—H⋯O hydrogen bonds, which lead to the formation of a one-dimensional double chain running parallel to the a axis. Weak π—π inter­actions between the benzene rings of neighboring chains with a centroid–centroid distance of 3.893 (4) Å result in the formation of layers parallel to the ac plane.
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spelling pubmed-29695592010-12-30 3,5-Bis(4-methoxy­phen­yl)-1H-1,2,4-triazole monohydrate Wang, Hai-Ying Ma, Jian-Ping Huang, Ru-Qi Dong, Yu-Bin Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(16)H(15)N(3)O(2)·H(2)O, the two benzene rings and the triazole ring lie almost in the same plane, the triazole ring forming dihedral angles of 5.07 (9) and 5.80 (8)° with the benzene rings. In the crystal, there are three relatively strong inter­molecular O—H⋯N and N—H⋯O hydrogen bonds, which lead to the formation of a one-dimensional double chain running parallel to the a axis. Weak π—π inter­actions between the benzene rings of neighboring chains with a centroid–centroid distance of 3.893 (4) Å result in the formation of layers parallel to the ac plane. International Union of Crystallography 2009-05-14 /pmc/articles/PMC2969559/ /pubmed/21583125 http://dx.doi.org/10.1107/S160053680901695X Text en © Wang et al. 2009 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, Hai-Ying
Ma, Jian-Ping
Huang, Ru-Qi
Dong, Yu-Bin
3,5-Bis(4-methoxy­phen­yl)-1H-1,2,4-triazole monohydrate
title 3,5-Bis(4-methoxy­phen­yl)-1H-1,2,4-triazole monohydrate
title_full 3,5-Bis(4-methoxy­phen­yl)-1H-1,2,4-triazole monohydrate
title_fullStr 3,5-Bis(4-methoxy­phen­yl)-1H-1,2,4-triazole monohydrate
title_full_unstemmed 3,5-Bis(4-methoxy­phen­yl)-1H-1,2,4-triazole monohydrate
title_short 3,5-Bis(4-methoxy­phen­yl)-1H-1,2,4-triazole monohydrate
title_sort 3,5-bis(4-methoxy­phen­yl)-1h-1,2,4-triazole monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969559/
https://www.ncbi.nlm.nih.gov/pubmed/21583125
http://dx.doi.org/10.1107/S160053680901695X
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