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Crystal structure of (E)-1-(4'-methyl-[1,1'-biphen-yl]-4-yl)-3-(3-nitro-phen-yl)prop-2-en-1-one.

ABSTRACT: In the title compound, C22H17NO3, the mol-ecule has an E conformation about the C=C bond, and the C-C=C-C torsion angle is -177.7?(3)°. The planes of the terminal benzene rings are twisted by 41.62?(16)°, while the biphenyl unit is non-planar, the dihedral angle between the planes of the rings being 38.02?(15)°. The dihedral angle between the nitro-phenyl ring and the inner benzene ring is 5.29?(16)°. In the crystal, mol-ecules are linked by two weak C-H?? inter-actions, forming rectangular tubes propagating along the b-axis direction.

SUBMITTER: Vidhyasagar T

PROVIDER: S-EPMC4331888 | biostudies-other | 2015 Jan

REPOSITORIES: biostudies-other

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Crystal structure of (E)-1-(4'-methyl-[1,1'-biphen-yl]-4-yl)-3-(3-nitro-phen-yl)prop-2-en-1-one.

Vidhyasagar T T Rajeswari K K Shanthi D D Kayalvizhi M M Vasuki G G Thiruvalluvar A A

Acta crystallographica. Section E, Crystallographic communications 20150101 Pt 1

In the title compound, C22H17NO3, the mol-ecule has an E conformation about the C=C bond, and the C-C=C-C torsion angle is -177.7 (3)°. The planes of the terminal benzene rings are twisted by 41.62 (16)°, while the biphenyl unit is non-planar, the dihedral angle between the planes of the rings being 38.02 (15)°. The dihedral angle between the nitro-phenyl ring and the inner benzene ring is 5.29 (16)°. In the crystal, mol-ecules are linked by two weak C-H⋯π inter-actions, forming rectangular tube ...[more]

PMID: 25705513

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