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2-[3,5-Bis-(4-fluoro-phen-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4,6-bis(4-fluoro-phenyl)pyrimidine.

ABSTRACT: In the title compound, C(31)H(20)F(4)N(4), the pyrazole ring adopts an envelope conformation and forms a dihedral angle of 9.91?(6)° with the adjacent pyrimidine ring. The pyrimidine ring forms dihedral angles of 9.23?(6) and 2.16?(5)° with its adjacent fluoro-substituted benzene rings, whereas these angles are 88.22?(6) and 9.66?(6)° for the pyrazole ring and its adjacent benzene rings. In the crystal, mol-ecules are linked by C-H?F hydrogen bonds into ribbons along [01-1]. The crystal packing is further stabilized by C-H?? and by ?-? inter-actions, with centroid-centroid distances of 3.7428?(7) and 3.7630?(6)?Å.

SUBMITTER: Fun HK

PROVIDER: S-EPMC3297871 | biostudies-other | 2012 Mar

REPOSITORIES: biostudies-other

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2-[3,5-Bis-(4-fluoro-phen-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4,6-bis(4-fluoro-phenyl)pyrimidine.

Fun Hoong-Kun HK Chia Tze Shyang TS Samshuddin S S Samshuddin S S Narayana B B Sarojini B K BK

Acta crystallographica. Section E, Structure reports online 20120224 Pt 3

In the title compound, C(31)H(20)F(4)N(4), the pyrazole ring adopts an envelope conformation and forms a dihedral angle of 9.91 (6)° with the adjacent pyrimidine ring. The pyrimidine ring forms dihedral angles of 9.23 (6) and 2.16 (5)° with its adjacent fluoro-substituted benzene rings, whereas these angles are 88.22 (6) and 9.66 (6)° for the pyrazole ring and its adjacent benzene rings. In the crystal, mol-ecules are linked by C-H⋯F hydrogen bonds into ribbons along [01-1]. The crystal packing ...[more]

PMID: 22412674

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1-[3,5-Bis(4-fluoro-phen-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone.

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