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4-(4-Chloro-5-methyl-3-trifluoro-meth-yl-1H-pyrazol-1-yl)-6-(prop-2-ynyl-oxy)pyrimidine.

ABSTRACT: 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 trifluoro-methyl 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.

SUBMITTER: Xie RL

PROVIDER: S-EPMC3008046 | biostudies-literature | 2010 Aug

REPOSITORIES: biostudies-literature

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4-(4-Chloro-5-methyl-3-trifluoro-meth-yl-1H-pyrazol-1-yl)-6-(prop-2-ynyl-oxy)pyrimidine.

Xie Ru-Liang RL Zhang Tao T Cao Ao-Cheng AC Mei Xiang-Dong XD

Acta crystallographica. Section E, Structure reports online 20100818 Pt 9

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 trifluoro-methyl 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. ...[more]

PMID: 21588656

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