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2-Chloro-N-{3-cyano-1-[2,6-dichloro-4-(trifluoro­meth­yl)phen­yl]-1H-pyrazol-5-yl}acetamide

The title compound, C(13)H(6)Cl(3)F(3)N(4)O, was synthesized by the reaction of 5-amino-1-[2,6-dichloro-4-(trifluoro­meth­yl)phen­yl]-1H-pyrazole-3-carbonitrile and 2-chloro­acetyl chloride. The five-membered pyrazole ring makes a dihedral angle of 71.5 (3)° with the benzene ring. The –CF(3) group i...

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Autores principales: Zhang, Jian-qiang, He, Qiu, Jiang, Qiang-hua, Mu, Hai-pin, Wan, Rong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3254452/
https://www.ncbi.nlm.nih.gov/pubmed/22259391
http://dx.doi.org/10.1107/S1600536811052743
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author Zhang, Jian-qiang
He, Qiu
Jiang, Qiang-hua
Mu, Hai-pin
Wan, Rong
author_facet Zhang, Jian-qiang
He, Qiu
Jiang, Qiang-hua
Mu, Hai-pin
Wan, Rong
author_sort Zhang, Jian-qiang
collection PubMed
description The title compound, C(13)H(6)Cl(3)F(3)N(4)O, was synthesized by the reaction of 5-amino-1-[2,6-dichloro-4-(trifluoro­meth­yl)phen­yl]-1H-pyrazole-3-carbonitrile and 2-chloro­acetyl chloride. The five-membered pyrazole ring makes a dihedral angle of 71.5 (3)° with the benzene ring. The –CF(3) group is disordered by rotation, and the F atoms are split over two sets of sites with occupancies of 0.59 (2) and 0.41 (2). The crystal structure features weak C—H⋯O and N—H⋯N inter­actions involving the carbonyl and cyano groups as acceptors.
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spelling pubmed-32544522012-01-18 2-Chloro-N-{3-cyano-1-[2,6-dichloro-4-(trifluoro­meth­yl)phen­yl]-1H-pyrazol-5-yl}acetamide Zhang, Jian-qiang He, Qiu Jiang, Qiang-hua Mu, Hai-pin Wan, Rong Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(13)H(6)Cl(3)F(3)N(4)O, was synthesized by the reaction of 5-amino-1-[2,6-dichloro-4-(trifluoro­meth­yl)phen­yl]-1H-pyrazole-3-carbonitrile and 2-chloro­acetyl chloride. The five-membered pyrazole ring makes a dihedral angle of 71.5 (3)° with the benzene ring. The –CF(3) group is disordered by rotation, and the F atoms are split over two sets of sites with occupancies of 0.59 (2) and 0.41 (2). The crystal structure features weak C—H⋯O and N—H⋯N inter­actions involving the carbonyl and cyano groups as acceptors. International Union of Crystallography 2011-12-14 /pmc/articles/PMC3254452/ /pubmed/22259391 http://dx.doi.org/10.1107/S1600536811052743 Text en © Zhang et al. 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
Zhang, Jian-qiang
He, Qiu
Jiang, Qiang-hua
Mu, Hai-pin
Wan, Rong
2-Chloro-N-{3-cyano-1-[2,6-dichloro-4-(trifluoro­meth­yl)phen­yl]-1H-pyrazol-5-yl}acetamide
title 2-Chloro-N-{3-cyano-1-[2,6-dichloro-4-(trifluoro­meth­yl)phen­yl]-1H-pyrazol-5-yl}acetamide
title_full 2-Chloro-N-{3-cyano-1-[2,6-dichloro-4-(trifluoro­meth­yl)phen­yl]-1H-pyrazol-5-yl}acetamide
title_fullStr 2-Chloro-N-{3-cyano-1-[2,6-dichloro-4-(trifluoro­meth­yl)phen­yl]-1H-pyrazol-5-yl}acetamide
title_full_unstemmed 2-Chloro-N-{3-cyano-1-[2,6-dichloro-4-(trifluoro­meth­yl)phen­yl]-1H-pyrazol-5-yl}acetamide
title_short 2-Chloro-N-{3-cyano-1-[2,6-dichloro-4-(trifluoro­meth­yl)phen­yl]-1H-pyrazol-5-yl}acetamide
title_sort 2-chloro-n-{3-cyano-1-[2,6-dichloro-4-(trifluoro­meth­yl)phen­yl]-1h-pyrazol-5-yl}acetamide
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3254452/
https://www.ncbi.nlm.nih.gov/pubmed/22259391
http://dx.doi.org/10.1107/S1600536811052743
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