5-(4-Bromophenyl)-3-(4-fluorophenyl)-1-phenyl-4,5-dihydro-1H-pyrazole

Hoong-Kun Fun,M Sapnakumari,B K Sarojini,B Narayana,Tze Shyang Chia

doi:10.1107/s160053681203454x

Hoong-Kun Fun, M Sapnakumari + Show 3 more

Open Access

https://doi.org/10.1107/s160053681203454x

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Abstract

In the title compound, C21H16BrFN2, the fluoro-substituted benzene ring is disordered over two orientations about the C—F bond and the C—C bond between the benzene and pyrazole groups with a site-occupancy ratio of 0.516 (8):0.484 (8). The central pyrazole ring [maximum deviation = 0.035 (3) Å] makes dihedral angles of 22.4 (2), 11.0 (2), 77.19 (16) and 7.44 (17)° with the two disorder components of the benzene ring, the bromo-substituted benzene ring and the phenyl ring, respectively. In the crystal, molecules are linked into a layer parallel to the bc plane through C—H⋯π interactions.

Highlights

C21H16BrFN2, the fluoro-substituted benzene ring is disordered over two orientations about the C—F bond and the C—C bond between the benzene and pyrazole groups with a site-occupancy ratio of 0.516 (8):0.484 (8)
Molecules are linked into a layer parallel to the bc plane through C—HÁ Á Á interactions
For the stability of the temperature controller used in the data collection, see: Cosier & Glazer (1986)

Summary

Structure Reports Online

Key indicators: single-crystal X-ray study; T = 100 K; mean (C–C) = 0.005 A; disorder in main residue; R factor = 0.051; wR factor = 0.113; data-to-parameter ratio = 18.9. C21H16BrFN2, the fluoro-substituted benzene ring is disordered over two orientations about the C—F bond and the C—C bond between the benzene and pyrazole groups with a site-occupancy ratio of 0.516 (8):0.484 (8). The central pyrazole ring [maximum deviation = 0.035 (3) A ] makes dihedral angles of 22.4 (2), 11.0 (2), 77.19 (16) and 7.44 (17) with the two disorder components of the benzene ring, the bromo-substituted benzene ring and the phenyl ring, respectively. Related literature For background to pyrazoline derivatives, see: Fun et al (2010); Samshuddin et al (2010, 2011). For the stability of the temperature controller used in the data collection, see: Cosier & Glazer (1986)

Data collection

DÁ Á ÁA

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