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3-Methyl-4-{[(3-{[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl-idene)(phen-yl)meth-yl]amino-meth-yl}benz-yl)amino](phen-yl)methyl-idene}-1-phenyl-1H-pyrazol-5(4H)-one.

ABSTRACT: The complete mol-ecule of the title compound, C(42)H(36)N(6)O(2), is generated by a crystallographic twofold axis with two C atoms of the central phenyl group lying on the axis. In the independent part of the mol-ecule, one amino group is involved in an intra-molecular N-H?O hydrogen bond, and the two adjacent phenyl rings are twisted from the plane of the pyrazolone ring with dihedral angles of 6.82?(3) and 88.32?(6)°. The crystal packing exhibits no classical inter-molecular contacts.

SUBMITTER: Cai HX

PROVIDER: S-EPMC3213468 | biostudies-other | 2011 Aug

REPOSITORIES: biostudies-other

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3-Methyl-4-{[(3-{[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl-idene)(phen-yl)meth-yl]amino-meth-yl}benz-yl)amino](phen-yl)methyl-idene}-1-phenyl-1H-pyrazol-5(4H)-one.

Cai Hong-Xin HX Wu Wei-Na WN Li Xiao-Xia XX Wang Yuan Y

Acta crystallographica. Section E, Structure reports online 20110713 Pt 8

The complete mol-ecule of the title compound, C(42)H(36)N(6)O(2), is generated by a crystallographic twofold axis with two C atoms of the central phenyl group lying on the axis. In the independent part of the mol-ecule, one amino group is involved in an intra-molecular N-H⋯O hydrogen bond, and the two adjacent phenyl rings are twisted from the plane of the pyrazolone ring with dihedral angles of 6.82 (3) and 88.32 (6)°. The crystal packing exhibits no classical inter-molecular contacts. ...[more]

PMID: 22091047

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