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3-(2,4-Dichloro-phen-yl)-5-(4-fluoro-phen-yl)-2-methyl-7-(trifluoro-meth-yl)pyrazolo-[1,5-a]pyrimidine.

ABSTRACT: In the title compound, C(20)H(11)Cl(2)F(4)N(3), the central pyrazolo-[1,5-a]pyrimidine unit is almost planar [the mean deviation from the best least-square plane through the nine atoms is 0.006?(2)?Å]. The fluoro-benzene ring is rotated out of this plane by 10.3?(3)°, whereas the dichloro-benzene ring is rotated by 46.2?(3)°. The crystal packing is dominated by Cl?Cl inter-actions of 3.475?(3)?Å and van der Waals inter-actions.

SUBMITTER: Liu J

PROVIDER: S-EPMC3344620 | biostudies-literature | 2012 May

REPOSITORIES: biostudies-literature

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3-(2,4-Dichloro-phen-yl)-5-(4-fluoro-phen-yl)-2-methyl-7-(trifluoro-meth-yl)pyrazolo-[1,5-a]pyrimidine.

Liu Ju J Cai Zhi-Qiang ZQ Wang Yang Y Jiang Ming-Jun MJ Xu Li-Feng LF

Acta crystallographica. Section E, Structure reports online 20120425 Pt 5

In the title compound, C(20)H(11)Cl(2)F(4)N(3), the central pyrazolo-[1,5-a]pyrimidine unit is almost planar [the mean deviation from the best least-square plane through the nine atoms is 0.006 (2) Å]. The fluoro-benzene ring is rotated out of this plane by 10.3 (3)°, whereas the dichloro-benzene ring is rotated by 46.2 (3)°. The crystal packing is dominated by Cl⋯Cl inter-actions of 3.475 (3) Å and van der Waals inter-actions. ...[more]

PMID: 22590382

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3-(2,4-Dichloro-phen-yl)-5-(4-fluoro-phen-yl)-2-phenyl-7-(trifluoro-meth-yl)pyrazolo-[1,5-a]pyrimidine.

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