1,3-Diphenyl-4,5-dihydro-1H-pyrazol-5-one

Author:

Baddeley Thomas C.,Wardell Solange M. S. V.,Tiekink Edward R. T.,Wardell James L.

Abstract

In the title pyrazolone derivative, C15H12N2O, the five-membered ring is approximately planar (r.m.s. deviation = 0.018 Å), and the N- and C-bound benzene rings are inclined to this plane [dihedral angles = 21.45 (10) and 6.96 (10)°, respectively] and form a dihedral angle of 20.42 (10)° with each other. Supramolecular layers are formed in the crystal structureviaC—H...O and C—H...N interactions, and these are assembled into double layers by C—H...π and π–π interactions between the pyrazole and C-bound benzene rings [ring centroid–centroid distance = 3.6476 (12) Å]. The double layers stack along theaaxis being connected by π–π interactions between the N- and C-bound benzene rings [ring centroid–centroid distance = 3.7718 (12) Å].

Publisher

International Union of Crystallography (IUCr)

Subject

Condensed Matter Physics,General Materials Science,General Chemistry

Cited by 3 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献

1. Tautomers and polymorphs of pyrazolinone derivatives, generated from reactions of arylhydrazines, ArNHNH2, with 1,3-dicarbonyl compounds;Zeitschrift für Kristallographie - Crystalline Materials;2013-01-21

2. 1-(4-Methylphenyl)-3-phenyl-1H-pyrazol-5-yl 4-nitrobenzenesulfonate;Acta Crystallographica Section E Structure Reports Online;2012-03-17

3. 3,5-Dimethyl-1-(4-nitrophenyl)-1H-pyrazole;Acta Crystallographica Section E Structure Reports Online;2012-03-10

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