4-Chloro-5-[(5,5-dimethyl-4,5-dihydro­isoxazol-3-yl)sulfonyl­meth­yl]-3-methyl-1-(2,2,2-trifluoro­ethyl)-1H-pyrazole

The mol­ecule of the title compound, C(12)H(15)ClF(3)N(3)O(3)S, is twisted, as indicated by the C—S—C—C torsion angle of 66.00 (18)° for the atoms linking the ring systems. An intra­molecular C—H⋯F short contact occurs. In the crystal, non-classical C—H⋯O inter­actions, one of which has a short H⋯O...

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Detalles Bibliográficos
Autores principales: Ma, Hong-Ju, Zhao, Qian-Fei, Mei, Xiang-Dong, Ning, Jun
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2970275/
https://www.ncbi.nlm.nih.gov/pubmed/21578005
http://dx.doi.org/10.1107/S1600536809038471
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author Ma, Hong-Ju
Zhao, Qian-Fei
Mei, Xiang-Dong
Ning, Jun
author_facet Ma, Hong-Ju
Zhao, Qian-Fei
Mei, Xiang-Dong
Ning, Jun
author_sort Ma, Hong-Ju
collection PubMed
description The mol­ecule of the title compound, C(12)H(15)ClF(3)N(3)O(3)S, is twisted, as indicated by the C—S—C—C torsion angle of 66.00 (18)° for the atoms linking the ring systems. An intra­molecular C—H⋯F short contact occurs. In the crystal, non-classical C—H⋯O inter­actions, one of which has a short H⋯O contact of 2.28 Å, link the mol­ecules.
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spelling pubmed-29702752010-12-30 4-Chloro-5-[(5,5-dimethyl-4,5-dihydro­isoxazol-3-yl)sulfonyl­meth­yl]-3-methyl-1-(2,2,2-trifluoro­ethyl)-1H-pyrazole Ma, Hong-Ju Zhao, Qian-Fei Mei, Xiang-Dong Ning, Jun Acta Crystallogr Sect E Struct Rep Online Organic Papers The mol­ecule of the title compound, C(12)H(15)ClF(3)N(3)O(3)S, is twisted, as indicated by the C—S—C—C torsion angle of 66.00 (18)° for the atoms linking the ring systems. An intra­molecular C—H⋯F short contact occurs. In the crystal, non-classical C—H⋯O inter­actions, one of which has a short H⋯O contact of 2.28 Å, link the mol­ecules. International Union of Crystallography 2009-09-30 /pmc/articles/PMC2970275/ /pubmed/21578005 http://dx.doi.org/10.1107/S1600536809038471 Text en © Ma 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
Ma, Hong-Ju
Zhao, Qian-Fei
Mei, Xiang-Dong
Ning, Jun
4-Chloro-5-[(5,5-dimethyl-4,5-dihydro­isoxazol-3-yl)sulfonyl­meth­yl]-3-methyl-1-(2,2,2-trifluoro­ethyl)-1H-pyrazole
title 4-Chloro-5-[(5,5-dimethyl-4,5-dihydro­isoxazol-3-yl)sulfonyl­meth­yl]-3-methyl-1-(2,2,2-trifluoro­ethyl)-1H-pyrazole
title_full 4-Chloro-5-[(5,5-dimethyl-4,5-dihydro­isoxazol-3-yl)sulfonyl­meth­yl]-3-methyl-1-(2,2,2-trifluoro­ethyl)-1H-pyrazole
title_fullStr 4-Chloro-5-[(5,5-dimethyl-4,5-dihydro­isoxazol-3-yl)sulfonyl­meth­yl]-3-methyl-1-(2,2,2-trifluoro­ethyl)-1H-pyrazole
title_full_unstemmed 4-Chloro-5-[(5,5-dimethyl-4,5-dihydro­isoxazol-3-yl)sulfonyl­meth­yl]-3-methyl-1-(2,2,2-trifluoro­ethyl)-1H-pyrazole
title_short 4-Chloro-5-[(5,5-dimethyl-4,5-dihydro­isoxazol-3-yl)sulfonyl­meth­yl]-3-methyl-1-(2,2,2-trifluoro­ethyl)-1H-pyrazole
title_sort 4-chloro-5-[(5,5-dimethyl-4,5-dihydro­isoxazol-3-yl)sulfonyl­meth­yl]-3-methyl-1-(2,2,2-trifluoro­ethyl)-1h-pyrazole
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2970275/
https://www.ncbi.nlm.nih.gov/pubmed/21578005
http://dx.doi.org/10.1107/S1600536809038471
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AT ningjun 4chloro555dimethyl45dihydroisoxazol3ylsulfonylmethyl3methyl1222trifluoroethyl1hpyrazole

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