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...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2010-09-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536810031740 |
| _version_ | 1819280204464390144 |
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| author | Ru-Liang Xie Tao Zhang Ao-Cheng Cao Xiang-Dong Mei |
| author_facet | Ru-Liang Xie Tao Zhang Ao-Cheng Cao Xiang-Dong Mei |
| author_sort | Ru-Liang Xie |
| collection | DOAJ |
| 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. |
| first_indexed | 2024-12-24T00:40:05Z |
| format | Article |
| id | doaj.art-0e0eeed550b04b6ab7652db41745b788 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-24T00:40:05Z |
| publishDate | 2010-09-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-0e0eeed550b04b6ab7652db41745b7882022-12-21T17:23:59ZengInternational 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 |
| 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 |
| 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 |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536810031740 |
| work_keys_str_mv | AT ruliangxie 44chloro5methyl3trifluoromethyl1hpyrazol1yl6prop2ynyloxypyrimidine AT taozhang 44chloro5methyl3trifluoromethyl1hpyrazol1yl6prop2ynyloxypyrimidine AT aochengcao 44chloro5methyl3trifluoromethyl1hpyrazol1yl6prop2ynyloxypyrimidine AT xiangdongmei 44chloro5methyl3trifluoromethyl1hpyrazol1yl6prop2ynyloxypyrimidine |