5-Methyl-1-(3-nitro­benz­yl)-1H-1,2,3-triazole-4-carboxylic acid monohydrate

The title compound, C(11)H(10)N(4)O(4)·H(2)O, was synthesized from 1-azido­methyl-3-nitro­benzene and ethyl acetyl­acetate. Single-crystal X-ray analysis reveals that the dihedral angle between the triazole and benzene ring planes is 84.80 (2)°. The packing of the mol­ecules is stabilized by strong...

Descripción completa

Detalles Bibliográficos
Autores principales: Xiao, Jie, Wang, Wen Xiang, Zhao, Hong
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2959515/
https://www.ncbi.nlm.nih.gov/pubmed/21580950
http://dx.doi.org/10.1107/S1600536808030584
_version_ 1782188518030704640
author Xiao, Jie
Wang, Wen Xiang
Zhao, Hong
author_facet Xiao, Jie
Wang, Wen Xiang
Zhao, Hong
author_sort Xiao, Jie
collection PubMed
description The title compound, C(11)H(10)N(4)O(4)·H(2)O, was synthesized from 1-azido­methyl-3-nitro­benzene and ethyl acetyl­acetate. Single-crystal X-ray analysis reveals that the dihedral angle between the triazole and benzene ring planes is 84.80 (2)°. The packing of the mol­ecules is stabilized by strong O—H⋯O hydrogen bonds involving the solvent water mol­ecules as donors and acceptors. The resulting layers are arranged into a three-dimensional framework via weak C—H⋯O inter­actions.
format Text
id pubmed-2959515
institution National Center for Biotechnology Information
language English
publishDate 2008
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-29595152010-12-30 5-Methyl-1-(3-nitro­benz­yl)-1H-1,2,3-triazole-4-carboxylic acid monohydrate Xiao, Jie Wang, Wen Xiang Zhao, Hong Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(11)H(10)N(4)O(4)·H(2)O, was synthesized from 1-azido­methyl-3-nitro­benzene and ethyl acetyl­acetate. Single-crystal X-ray analysis reveals that the dihedral angle between the triazole and benzene ring planes is 84.80 (2)°. The packing of the mol­ecules is stabilized by strong O—H⋯O hydrogen bonds involving the solvent water mol­ecules as donors and acceptors. The resulting layers are arranged into a three-dimensional framework via weak C—H⋯O inter­actions. International Union of Crystallography 2008-10-09 /pmc/articles/PMC2959515/ /pubmed/21580950 http://dx.doi.org/10.1107/S1600536808030584 Text en © Xiao et al. 2008 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
Xiao, Jie
Wang, Wen Xiang
Zhao, Hong
5-Methyl-1-(3-nitro­benz­yl)-1H-1,2,3-triazole-4-carboxylic acid monohydrate
title 5-Methyl-1-(3-nitro­benz­yl)-1H-1,2,3-triazole-4-carboxylic acid monohydrate
title_full 5-Methyl-1-(3-nitro­benz­yl)-1H-1,2,3-triazole-4-carboxylic acid monohydrate
title_fullStr 5-Methyl-1-(3-nitro­benz­yl)-1H-1,2,3-triazole-4-carboxylic acid monohydrate
title_full_unstemmed 5-Methyl-1-(3-nitro­benz­yl)-1H-1,2,3-triazole-4-carboxylic acid monohydrate
title_short 5-Methyl-1-(3-nitro­benz­yl)-1H-1,2,3-triazole-4-carboxylic acid monohydrate
title_sort 5-methyl-1-(3-nitro­benz­yl)-1h-1,2,3-triazole-4-carboxylic acid monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2959515/
https://www.ncbi.nlm.nih.gov/pubmed/21580950
http://dx.doi.org/10.1107/S1600536808030584
work_keys_str_mv AT xiaojie 5methyl13nitrobenzyl1h123triazole4carboxylicacidmonohydrate
AT wangwenxiang 5methyl13nitrobenzyl1h123triazole4carboxylicacidmonohydrate
AT zhaohong 5methyl13nitrobenzyl1h123triazole4carboxylicacidmonohydrate

Ejemplares similares