4-{(Z)-(sec-Butyl-amino)(phen-yl)methyl-ene}-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one.

ABSTRACT: In the title compound, C(21)H(23)N(3)O, the dihedral angles formed by the pyrazolone ring with two phenyl rings are 10.38?(8) and 76.94?(6)°. The sec-butyl-amino group is disordered over two positions, with refined site-occupancy factors of 0.730?(4) and 0.270?(4). The compound could potentially be ligand stabilized in the solid state in a keto-enamine tautomeric form. The amine functionality is involved in an intra-molecular N-H?O hydrogen bond, while weak inter-molecular C-H?O and C-H?N hydrogen bonds participate in the formation of the crystal structure.

SUBMITTER: Xu HZ 

PROVIDER: S-EPMC2970147 | biostudies-literature | 2009 Aug

REPOSITORIES: biostudies-literature