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4-[(5-Chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl-idene-amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one.

ABSTRACT: In the mol-ecule of the title compound, C(22)H(20)ClN(5)O, the atoms of the two pyrazole rings and the -C=N- group which joins them are essentially coplanar, with an r.m.s. deviation of 0.054?(2)?Å. The phenyl rings form dihedral angles of 41.24?(5) and 55.53?(5)° with this plane. The crystal structure is stabilized by weak inter-molecular ?-? inter-actions, with centroid-to-centroid distances of 3.6179?(13)?Å between the imidazole rings.

SUBMITTER: Zhu H

PROVIDER: S-EPMC3009036 | biostudies-literature | 2010 Oct

REPOSITORIES: biostudies-literature

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4-[(5-Chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl-idene-amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one.

Zhu Hualing H Zhu Jinhua J Ban Litong L Zhang Pingping P Zhang Miao M

Acta crystallographica. Section E, Structure reports online 20101009 Pt 11

In the mol-ecule of the title compound, C(22)H(20)ClN(5)O, the atoms of the two pyrazole rings and the -C=N- group which joins them are essentially coplanar, with an r.m.s. deviation of 0.054 (2) Å. The phenyl rings form dihedral angles of 41.24 (5) and 55.53 (5)° with this plane. The crystal structure is stabilized by weak inter-molecular π-π inter-actions, with centroid-to-centroid distances of 3.6179 (13) Å between the imidazole rings. ...[more]

PMID: 21588935

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