Abstract
In the title molecule, C22H16N2O, the phenyl ring is twisted slightly with respect to the plane of the central pyrazole ring [dihedral angle = 14.8 (2)°]; the central ring is connected to the naphthyl ring through a —CH=CH—C(=O)— fragment, whose C=C double bond has an E configuration. The pyrazole ring and naphthalene ring system are twisted by 46.3 (1)°. Weak intermolecular C—H⋯O hydrogen bonds link the molecules, forming supramolecular chains running along the a axis. The crystal studied was a non-merohedral twin with a component ratio of 0.544 (2):0.456 (2).
Highlights
C22H16N2O, the phenyl ring is twisted slightly with respect to the plane of the central pyrazole ring [dihedral angle = 14.8 (2)]; the central ring is connected to the naphthyl ring through a —CH CH—C( O)— fragment, whose C C double bond has an E configuration
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2)
Summary
Key indicators: single-crystal X-ray study; T = 100 K; mean (C–C) = 0.005 A; R factor = 0.060; wR factor = 0.140; data-to-parameter ratio = 16.9. C22H16N2O, the phenyl ring is twisted slightly with respect to the plane of the central pyrazole ring [dihedral angle = 14.8 (2)]; the central ring is connected to the naphthyl ring through a —CH CH—C( O)— fragment, whose C C double bond has an E configuration. The pyrazole ring and naphthalene ring system are twisted by 46.3 (1). Weak intermolecular C—HÁ Á ÁO hydrogen bonds link the molecules, forming supramolecular chains running along the a axis. The crystal studied was a non-merohedral twin with a component ratio of 0.544 (2):0.456 (2).
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