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Acta Cryst. (2009). E65, o66-o67  [ doi:10.1107/S1600536808039081 ]

4-[(5-Hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)phenylmethyl]-5-methyl-2-phenyl-1H-pyrazol-3(2H)-one ethanol hemisolvate

H.-K. Fun, R. Kia, K. S. Girish and B. Kalluraya

Abstract: The asymmetric unit of the title compound, C27H24N4O2·0.5C2H6O, comprises two crystallographically independent molecules (A and B) with slightly different conformations, and one ethanol molecule of crystallization. Intramolecular C-H...O and O-H...O hydrogen bonds generate six- and eight-membered rings, producing S(6) and S(8) ring motifs, respectively. In molecule A, one of the benzene rings is disordered over two positions, with site-occupancy factors of 0.542 (11) and 0.458 (11). The dihedral angles between the central benzene ring and the two outer benzene rings are 73.88 (9) and 82.6 (2)/88.9 (2)° in molecule A, and 80.81 (8) and 79.38 (8)° in molecule B. In the crystal structure, molecules form infinite one-dimensional chains in the (101) plane. The crystal structure is stabilized by intermolecular O-H...N, N-H...N, N-H...O and C-H...O hydrogen bonds, weak C-H...[pi] and [pi]-[pi] [centroid-centroid = 3.5496 (1) Å] interactions.

Online 10 December 2008


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