(2E)-1-(2,4-Dichlorophenyl)-3-[3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl] prop-2-en-1-one
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Date
2012
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Abstract
In the title compound, C <inf>24</inf>H <inf>15</inf>Cl <inf>2</inf>N <inf>3</inf>O <inf>3</inf>, the C=C double bond is E configured. The 1-phenyl-1H-pyrazole moiety is roughly planar (r.m.s. deviation of all fitted non-H atoms = 0.0780 Å), but the mean planes of the two components are inclined at an angle of 9.95 (7)°. The mean plane defined by the non-H atoms of the 1H-pyrazole ring encloses angles of 9.95 (7), 24.54 (6) and 43.02 (6)° with the mean planes of the different benzene rings. In the crystal, C - H?O contacts are present and result in the formation of a double-layer two-dimensional network lying parallel to (110). The shortest inter-centroid distance between two aromatic systems is 3.5455 (7) Å and is apparent between two pyrazole systems. Further ?-? interactions are manifest between a pair of 4-nitrophenyl rings [centroid-to-centroid distance = 3.6443 (7) Å] and a pair of 2,4-dichlorophenyl rings [centroid-to-centroid distance = 3.7797 (7) Å].
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data-to-parameter ratio = 16.8, mean ?(C-C) = 0.002 Å, R factor = 0.030, single-crystal X-ray study, T = 200 K, wR factor = 0.086
Citation
Acta Crystallographica Section E: Structure Reports Online, 2012, 68, 3, pp. o616-o617
