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4-[(Z)-Allyl-amino-(phen-yl)methyl-ene]-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one.

ABSTRACT: The title compound, C(20)H(19)N(3)O, exists in a keto-enamine tautomeric form. The pyrazolone ring makes dihedral angles of 20.52?(10) and 77.73?(5)° with the two phenyl rings and an intra-molecular N-H?O hydrogen bond occurs. A weak inter-molecular C-H?O hydrogen bond is observed in the crystal structure. The allyl group is disordered over two positions, with site-occupancy factors of 0.533?(5) and 0.467?(5).

SUBMITTER: Xu HZ

PROVIDER: S-EPMC2979603 | biostudies-literature | 2010 May

REPOSITORIES: biostudies-literature

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4-[(Z)-Allyl-amino-(phen-yl)methyl-ene]-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one.

Xu Hai-Zhen HZ Yang Yan-Xia YX Yan Jing J Zhu You-Quan YQ

Acta crystallographica. Section E, Structure reports online 20100512 Pt 6

The title compound, C(20)H(19)N(3)O, exists in a keto-enamine tautomeric form. The pyrazolone ring makes dihedral angles of 20.52 (10) and 77.73 (5)° with the two phenyl rings and an intra-molecular N-H⋯O hydrogen bond occurs. A weak inter-molecular C-H⋯O hydrogen bond is observed in the crystal structure. The allyl group is disordered over two positions, with site-occupancy factors of 0.533 (5) and 0.467 (5). ...[more]

PMID: 21579404

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