4-(4-Chloro-5-methyl-3-trifluoro­meth­yl-1H-pyrazol-1-yl)-6-(prop-2-ynyl­oxy)pyrimidine

The molecule of the title compound, C(12)H(8)ClF(3)N(4)O, is twisted as indicated by the C—O—C—C torsion angle of 76.9 (3)°. Moreover, the trifluoro­methyl group shows rotational disorder of the F atoms, with site-occupancy factors of 0.653 (6) and 0.347 (6). The dihedral angle between the rings is...

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Detalles Bibliográficos
Autores principales: Xie, Ru-Liang, Zhang, Tao, Cao, Ao-Cheng, Mei, Xiang-Dong
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3008046/
https://www.ncbi.nlm.nih.gov/pubmed/21588656
http://dx.doi.org/10.1107/S1600536810031740
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author Xie, Ru-Liang
Zhang, Tao
Cao, Ao-Cheng
Mei, Xiang-Dong
author_facet Xie, Ru-Liang
Zhang, Tao
Cao, Ao-Cheng
Mei, Xiang-Dong
author_sort Xie, Ru-Liang
collection PubMed
description The molecule of the title compound, C(12)H(8)ClF(3)N(4)O, is twisted as indicated by the C—O—C—C torsion angle of 76.9 (3)°. Moreover, the trifluoro­methyl group shows rotational disorder of the F atoms, with site-occupancy factors of 0.653 (6) and 0.347 (6). The dihedral angle between the rings is 1.88 (12) Å.
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spelling pubmed-30080462010-12-30 4-(4-Chloro-5-methyl-3-trifluoro­meth­yl-1H-pyrazol-1-yl)-6-(prop-2-ynyl­oxy)pyrimidine Xie, Ru-Liang Zhang, Tao Cao, Ao-Cheng Mei, Xiang-Dong Acta Crystallogr Sect E Struct Rep Online Organic Papers The molecule of the title compound, C(12)H(8)ClF(3)N(4)O, is twisted as indicated by the C—O—C—C torsion angle of 76.9 (3)°. Moreover, the trifluoro­methyl group shows rotational disorder of the F atoms, with site-occupancy factors of 0.653 (6) and 0.347 (6). The dihedral angle between the rings is 1.88 (12) Å. International Union of Crystallography 2010-08-18 /pmc/articles/PMC3008046/ /pubmed/21588656 http://dx.doi.org/10.1107/S1600536810031740 Text en © Xie et al. 2010 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
Xie, Ru-Liang
Zhang, Tao
Cao, Ao-Cheng
Mei, Xiang-Dong
4-(4-Chloro-5-methyl-3-trifluoro­meth­yl-1H-pyrazol-1-yl)-6-(prop-2-ynyl­oxy)pyrimidine
title 4-(4-Chloro-5-methyl-3-trifluoro­meth­yl-1H-pyrazol-1-yl)-6-(prop-2-ynyl­oxy)pyrimidine
title_full 4-(4-Chloro-5-methyl-3-trifluoro­meth­yl-1H-pyrazol-1-yl)-6-(prop-2-ynyl­oxy)pyrimidine
title_fullStr 4-(4-Chloro-5-methyl-3-trifluoro­meth­yl-1H-pyrazol-1-yl)-6-(prop-2-ynyl­oxy)pyrimidine
title_full_unstemmed 4-(4-Chloro-5-methyl-3-trifluoro­meth­yl-1H-pyrazol-1-yl)-6-(prop-2-ynyl­oxy)pyrimidine
title_short 4-(4-Chloro-5-methyl-3-trifluoro­meth­yl-1H-pyrazol-1-yl)-6-(prop-2-ynyl­oxy)pyrimidine
title_sort 4-(4-chloro-5-methyl-3-trifluoro­meth­yl-1h-pyrazol-1-yl)-6-(prop-2-ynyl­oxy)pyrimidine
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3008046/
https://www.ncbi.nlm.nih.gov/pubmed/21588656
http://dx.doi.org/10.1107/S1600536810031740
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