Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 7 (July 2013)


organic compounds



hb7095 scheme

Acta Cryst. (2013). E69, o1143-o1144    [ doi:10.1107/S1600536813016838 ]

(2E)-1-(4-Bromophenyl)-3-[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-en-1-one

R. Prasath, P. Bhavana, S. W. Ng and E. R. T. Tiekink

Abstract: The pyrazole ring in the title compound, C25H19BrN2O2, is almost planar (r.m.s. deviation = 0.003 Å) and forms dihedral angles of 7.56 (13) and 56.48 (13)° with the N- and C-bound benzene rings, respectively. The prop-2-en-1-one residue has an E conformation about the C=C double bond [1.328 (4) Å] and is almost coplanar with the pyrazole ring [C-C-C-C torsion angle = -174.4 (3)°]. A twist between the prop-2-en-1-one unit and the terminal benzene ring is evident [C-C-C-C torsion angle = -15.4 (4)°]. In the crystal, molecules are consolidated into a three-dimensional architecture by C-H...O, C-H...[pi] and [pi]-[pi] [centroid-centroid separation = 3.7597 (16) Å] interactions.


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