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4,6-Bis(4-fluoro-phen-yl)-2-phenyl-1H-indazol-3(2H)-one.

ABSTRACT: In the title compound, C(25)H(16)F(2)N(2)O, the pyrazole ring is almost planar (r.m.s. deviation = 0.028?Å) and makes a dihedral angle of 5.86?(11)° with the indazole benzene ring. The dihedral angle between the pyrazole ring and the unsubstituted phenyl ring is 28.19?(11)°. The dihedral angles between the unsubstituted phenyl and the two fluoro-phenyl groups are 57.69?(10) and 18.01?(10)°. In the crystal, mol-ecules are linked by inter-molecular N-H?O and C-H?F inter-actions, forming infinite chains along the b axis with graph-set motif R(3) (2)(19). The crystal structure is further consolidated by ?-? stacking [centroid-centroid distances = 3.5916?(13) and 3.6890?(13)?Å] and C-H?? inter-actions.

SUBMITTER: Butcher RJ

PROVIDER: S-EPMC3120412 | biostudies-literature | 2011 Jun

REPOSITORIES: biostudies-literature

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4,6-Bis(4-fluoro-phen-yl)-2-phenyl-1H-indazol-3(2H)-one.

Butcher R J RJ Akkurt M M Samshuddin S S Samshuddin S S Narayana B B Yathirajan H S HS

Acta crystallographica. Section E, Structure reports online 20110507 Pt 6

In the title compound, C(25)H(16)F(2)N(2)O, the pyrazole ring is almost planar (r.m.s. deviation = 0.028 Å) and makes a dihedral angle of 5.86 (11)° with the indazole benzene ring. The dihedral angle between the pyrazole ring and the unsubstituted phenyl ring is 28.19 (11)°. The dihedral angles between the unsubstituted phenyl and the two fluoro-phenyl groups are 57.69 (10) and 18.01 (10)°. In the crystal, mol-ecules are linked by inter-molecular N-H⋯O and C-H⋯F inter-actions, forming infinite c ...[more]

PMID: 21754741

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