Fun Hoong-Kun, Chia Tze Shyang, Sapnakumari M, Narayana B, Sarojini B K
Acta Crystallogr Sect E Struct Rep Online. 2012 Sep 1;68(Pt 9):o2680. doi: 10.1107/S160053681203454X. Epub 2012 Aug 11.
In the title compound, C(21)H(16)BrFN(2), 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, mol-ecules are linked into a layer parallel to the bc plane through C-H⋯π inter-actions.
在标题化合物C₂₁H₁₆BrFN₂中，氟取代的苯环围绕C-F键以及苯环与吡唑基团之间的C-C键在两个取向间无序，占位比为0.516(8):0.484(8)。中心吡唑环[最大偏差 = 0.035(3) Å]与苯环的两个无序组分、溴取代的苯环和苯基环分别形成的二面角为22.4(2)、11.0(2)、77.19(16)和7.44(17)°。在晶体中，分子通过C-H⋯π相互作用连接成平行于bc平面的层。
