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

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

The molecule of the title compound, C12H8ClF3N4O, 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...

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Main Authors: Ru-Liang Xie, Tao Zhang, Ao-Cheng Cao, Xiang-Dong Mei
Format: Article
Language:English
Published: International Union of Crystallography 2010-09-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536810031740
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spelling doaj-0e0eeed550b04b6ab7652db41745b7882020-11-25T00:50:37ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682010-09-01669o2307o230710.1107/S16005368100317404-(4-Chloro-5-methyl-3-trifluoromethyl-1H-pyrazol-1-yl)-6-(prop-2-ynyloxy)pyrimidineRu-Liang XieTao ZhangAo-Cheng CaoXiang-Dong MeiThe molecule of the title compound, C12H8ClF3N4O, 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. http://scripts.iucr.org/cgi-bin/paper?S1600536810031740
collection DOAJ
language English
format Article
sources DOAJ
author Ru-Liang Xie
Tao Zhang
Ao-Cheng Cao
Xiang-Dong Mei
spellingShingle Ru-Liang Xie
Tao Zhang
Ao-Cheng Cao
Xiang-Dong Mei
4-(4-Chloro-5-methyl-3-trifluoromethyl-1H-pyrazol-1-yl)-6-(prop-2-ynyloxy)pyrimidine
Acta Crystallographica Section E
author_facet Ru-Liang Xie
Tao Zhang
Ao-Cheng Cao
Xiang-Dong Mei
author_sort Ru-Liang Xie
title 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_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_sort 4-(4-chloro-5-methyl-3-trifluoromethyl-1h-pyrazol-1-yl)-6-(prop-2-ynyloxy)pyrimidine
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2010-09-01
description The molecule of the title compound, C12H8ClF3N4O, 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.
url http://scripts.iucr.org/cgi-bin/paper?S1600536810031740
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AT taozhang 44chloro5methyl3trifluoromethyl1hpyrazol1yl6prop2ynyloxypyrimidine
AT aochengcao 44chloro5methyl3trifluoromethyl1hpyrazol1yl6prop2ynyloxypyrimidine
AT xiangdongmei 44chloro5methyl3trifluoromethyl1hpyrazol1yl6prop2ynyloxypyrimidine
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