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(2E)-1-(4-Bromo-phen-yl)-3-[3-(4-meth-oxy-phen-yl)-1-phenyl-1H-pyrazol-4-yl]prop-2-en-1-one.

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, mol-ecules are consolidated into a three-dimensional architecture by C-H?O, C-H?? and ?-? [centroid-centroid separation = 3.7597?(16)?Å] inter-actions.

SUBMITTER: Prasath R

PROVIDER: S-EPMC3770408 | biostudies-other | 2013

REPOSITORIES: biostudies-other

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(2E)-1-(4-Bromo-phen-yl)-3-[3-(4-meth-oxy-phen-yl)-1-phenyl-1H-pyrazol-4-yl]prop-2-en-1-one.

Prasath R R Bhavana P P Ng Seik Weng SW Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20130622 Pt 7

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) ...[more]

PMID: 24046693

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