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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...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2009
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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. |
format | Text |
id | pubmed-2969559 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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