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3-[(E)-3-(4-Meth-oxy-phen-yl)prop-2-eno-yl]-1-(4-methyl-phen-yl)-5-phenyl-1H-pyrazole-4-carbonitrile.

ABSTRACT: In the title compound, C(27)H(21)N(3)O(2), the non-H atoms of the meth-oxy-phenyl-acryloyl substitutent of the pyrazolyl ring are almost co-planar (r.m.s. deviation = 0.070?Å), and the mean plane is twisted by 18.7?(1)° with respect to the pyrazolyl ring. The phenyl and tolyl substituents are aligned at 48.9?(1) and 44.5?(1)° with respect to the pyrazolyl ring. Weak inter-molecular C-H?O and C-H?N hydrogen bonding is present in the crystal structure.

SUBMITTER: Abdel-Aziz HA

PROVIDER: S-EPMC3052011 | biostudies-literature | 2011 Feb

REPOSITORIES: biostudies-literature

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3-[(E)-3-(4-Meth-oxy-phen-yl)prop-2-eno-yl]-1-(4-methyl-phen-yl)-5-phenyl-1H-pyrazole-4-carbonitrile.

Abdel-Aziz Hatem A HA Bari Ahmed A Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20110223 Pt 3

In the title compound, C(27)H(21)N(3)O(2), the non-H atoms of the meth-oxy-phenyl-acryloyl substitutent of the pyrazolyl ring are almost co-planar (r.m.s. deviation = 0.070 Å), and the mean plane is twisted by 18.7 (1)° with respect to the pyrazolyl ring. The phenyl and tolyl substituents are aligned at 48.9 (1) and 44.5 (1)° with respect to the pyrazolyl ring. Weak inter-molecular C-H⋯O and C-H⋯N hydrogen bonding is present in the crystal structure. ...[more]

PMID: 21522439

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