Cargando…
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...
Autores principales: | , , , , |
---|---|
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 |
_version_ | 1782220857408487424 |
---|---|
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. |
format | Online Article Text |
id | pubmed-3254452 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT zhangjianqiang 2chloron3cyano126dichloro4trifluoromethylphenyl1hpyrazol5ylacetamide AT heqiu 2chloron3cyano126dichloro4trifluoromethylphenyl1hpyrazol5ylacetamide AT jiangqianghua 2chloron3cyano126dichloro4trifluoromethylphenyl1hpyrazol5ylacetamide AT muhaipin 2chloron3cyano126dichloro4trifluoromethylphenyl1hpyrazol5ylacetamide AT wanrong 2chloron3cyano126dichloro4trifluoromethylphenyl1hpyrazol5ylacetamide |