1-(4-Chloro-2-fluoro-5-nitro­phen­yl)-4-difluoro­methyl-3-methyl-1H-1,2,4-triazol-5(4H)-one

In the title compound, C(10)H(6)ClF(3)N(4)O(3), the dihedral angle between the benzene ring and the triazolone ring is 59.9 (1)°, while the nitro substituent subtends an angle of 39.5 (1)° to the benzene ring plane. In the crystal, pairs of mol­ecules form inversion dimers via C—H⋯O hydrogen bonds....

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Detalles Bibliográficos
Autores principales: Yang, Li, Liu, Jun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344505/
https://www.ncbi.nlm.nih.gov/pubmed/22590267
http://dx.doi.org/10.1107/S1600536812013013
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author Yang, Li
Liu, Jun
author_facet Yang, Li
Liu, Jun
author_sort Yang, Li
collection PubMed
description In the title compound, C(10)H(6)ClF(3)N(4)O(3), the dihedral angle between the benzene ring and the triazolone ring is 59.9 (1)°, while the nitro substituent subtends an angle of 39.5 (1)° to the benzene ring plane. In the crystal, pairs of mol­ecules form inversion dimers via C—H⋯O hydrogen bonds.
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spelling pubmed-33445052012-05-15 1-(4-Chloro-2-fluoro-5-nitro­phen­yl)-4-difluoro­methyl-3-methyl-1H-1,2,4-triazol-5(4H)-one Yang, Li Liu, Jun Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(10)H(6)ClF(3)N(4)O(3), the dihedral angle between the benzene ring and the triazolone ring is 59.9 (1)°, while the nitro substituent subtends an angle of 39.5 (1)° to the benzene ring plane. In the crystal, pairs of mol­ecules form inversion dimers via C—H⋯O hydrogen bonds. International Union of Crystallography 2012-04-13 /pmc/articles/PMC3344505/ /pubmed/22590267 http://dx.doi.org/10.1107/S1600536812013013 Text en © Yang and Liu 2012 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
Yang, Li
Liu, Jun
1-(4-Chloro-2-fluoro-5-nitro­phen­yl)-4-difluoro­methyl-3-methyl-1H-1,2,4-triazol-5(4H)-one
title 1-(4-Chloro-2-fluoro-5-nitro­phen­yl)-4-difluoro­methyl-3-methyl-1H-1,2,4-triazol-5(4H)-one
title_full 1-(4-Chloro-2-fluoro-5-nitro­phen­yl)-4-difluoro­methyl-3-methyl-1H-1,2,4-triazol-5(4H)-one
title_fullStr 1-(4-Chloro-2-fluoro-5-nitro­phen­yl)-4-difluoro­methyl-3-methyl-1H-1,2,4-triazol-5(4H)-one
title_full_unstemmed 1-(4-Chloro-2-fluoro-5-nitro­phen­yl)-4-difluoro­methyl-3-methyl-1H-1,2,4-triazol-5(4H)-one
title_short 1-(4-Chloro-2-fluoro-5-nitro­phen­yl)-4-difluoro­methyl-3-methyl-1H-1,2,4-triazol-5(4H)-one
title_sort 1-(4-chloro-2-fluoro-5-nitro­phen­yl)-4-difluoro­methyl-3-methyl-1h-1,2,4-triazol-5(4h)-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344505/
https://www.ncbi.nlm.nih.gov/pubmed/22590267
http://dx.doi.org/10.1107/S1600536812013013
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