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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.

ABSTRACT: In the title compound, C(25)H(13)Cl(2)F(4)N(3), there are four planar systems, viz. three benzene rings and a pyrazolo-[1,5-a]pyrim-idine system [r.m.s. deviation = 0.002?Å]. The dihedral angle between the dichloro-phenyl ring and the unsubstituted phenyl ring is 69.95?(5)°, while that between the fluoro-phenyl ring and the unsubstituted phenyl ring is 7.97?(10)°. The crystal packing is dominated by van der Waals inter-actions. A Cl?Cl inter-action of 3.475?(3)?Å also occurs.

SUBMITTER: Liu J

PROVIDER: S-EPMC3379478 | biostudies-literature | 2012 Jun

REPOSITORIES: biostudies-literature

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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.

Liu Ju J Cai Zhi-Qiang ZQ Wang Yang Y Sang Yu-Li YL Xu Li-Feng LF

Acta crystallographica. Section E, Structure reports online 20120531 Pt 6

In the title compound, C(25)H(13)Cl(2)F(4)N(3), there are four planar systems, viz. three benzene rings and a pyrazolo-[1,5-a]pyrim-idine system [r.m.s. deviation = 0.002 Å]. The dihedral angle between the dichloro-phenyl ring and the unsubstituted phenyl ring is 69.95 (5)°, while that between the fluoro-phenyl ring and the unsubstituted phenyl ring is 7.97 (10)°. The crystal packing is dominated by van der Waals inter-actions. A Cl⋯Cl inter-action of 3.475 (3) Å also occurs. ...[more]

PMID: 22719676

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