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A second monoclinic polymorph of 4-[(E)-(4-benzyl-oxybenzyl-idene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one.

ABSTRACT: In the title compound, C25H23N3O2, the central benzene ring makes dihedral angles of 77.14?(8) and 87.7?(2)° with the terminal benzene rings and an angle of 1.9?(1)° with the pyrazolone ring. The benzene ring and the N atom of the pyrazole ring bearing the phenyl substituent are disordered over two sets of sites with an occupancy ratio of 0.71?(2):0.29?(2). The N atoms of the pyrazole ring have a pyramidal environment, the sums of the valence angles around them being 354.6?(3) and 352.0?(6)/349.5?(15)°. In the crystal, mol-ecules are packed into layers parallel to the ac plane. The other monoclinic polymorphic form was reported recently [Dutkiewicz et al. (2012 ?). Acta Cryst. E68, o1324].

SUBMITTER: Kant R

PROVIDER: S-EPMC3588271 | biostudies-other | 2013 Jan

REPOSITORIES: biostudies-other

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A second monoclinic polymorph of 4-[(E)-(4-benzyl-oxybenzyl-idene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one.

Kant Rajni R Gupta Vivek K VK Kapoor Kamini K Nayak Prakash S PS Sarojini B K BK Narayana B B

Acta crystallographica. Section E, Structure reports online 20121219 Pt 1

In the title compound, C25H23N3O2, the central benzene ring makes dihedral angles of 77.14 (8) and 87.7 (2)° with the terminal benzene rings and an angle of 1.9 (1)° with the pyrazolone ring. The benzene ring and the N atom of the pyrazole ring bearing the phenyl substituent are disordered over two sets of sites with an occupancy ratio of 0.71 (2):0.29 (2). The N atoms of the pyrazole ring have a pyramidal environment, the sums of the valence angles around them being 354.6 (3) and 352.0 (6)/349. ...[more]

PMID: 23476378

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