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(Z)-4-[(2-Amino-4,5-dichloro-anilino)(phenyl)methyl-idene]-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one.

ABSTRACT: The mol-ecule of the title compound, C(23)H(18)Cl(2)N(4)O, assumes a non-planar conformation in which the pyrazolone ring forms dihedral angles of 32.61?(19), 76.73?(14) and 52.57?(19)° with the three benzene rings. The secondary amino group is involved in an intra-molecular N-H?O hydrogen bond. In the crystal, mol-ecules are linked by pairs of N-H?O hydrogen bonds, forming inversion dimers. An offset stacking inter-action is observed between the chloro-substituted benzene rings protruding on both sides of these dimers [centroid-centroid distance = 3.862?(1)?Å].

SUBMITTER: Zou D

PROVIDER: S-EPMC3515247 | biostudies-literature | 2012 Nov

REPOSITORIES: biostudies-literature

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(Z)-4-[(2-Amino-4,5-dichloro-anilino)(phenyl)methyl-idene]-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one.

Zou Dan D Lü Xingqiang X Zhao Shunsheng S Liu Xiangrong X

Acta crystallographica. Section E, Structure reports online 20121020 Pt 11

The mol-ecule of the title compound, C(23)H(18)Cl(2)N(4)O, assumes a non-planar conformation in which the pyrazolone ring forms dihedral angles of 32.61 (19), 76.73 (14) and 52.57 (19)° with the three benzene rings. The secondary amino group is involved in an intra-molecular N-H⋯O hydrogen bond. In the crystal, mol-ecules are linked by pairs of N-H⋯O hydrogen bonds, forming inversion dimers. An offset stacking inter-action is observed between the chloro-substituted benzene rings protruding on bo ...[more]

PMID: 23284467

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