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

ABSTRACT: In the title compound, C21H15NO3, the mol-ecule has an E conformation about the C=C bond, and the C-C=C-C torsion angle is -178.24?(18)°. In the mol-ecule, the planes of the terminal rings are twisted by an angle of 42.19?(10)°, while the biphenyl part is not planar, with a dihedral angle between the rings of 39.2?(1)°. The dihedral angle between the nitro-phenyl ring and the inner benzene ring is 5.56?(9)°. The 3-nitro group is approximately coplanar with the benzene ring to which it is attached [O-N-C-C = 0.1?(3)°]. In the crystal, mol-ecules are linked via C-H?? inter-actions, involving the terminal benzene rings, forming corrugated layers parallel to (100).

SUBMITTER: Shanthi D

PROVIDER: S-EPMC4384577 | biostudies-literature | 2015 Feb

REPOSITORIES: biostudies-literature

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

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

Acta crystallographica. Section E, Crystallographic communications 20150117 Pt 2

In the title compound, C21H15NO3, the mol-ecule has an E conformation about the C=C bond, and the C-C=C-C torsion angle is -178.24 (18)°. In the mol-ecule, the planes of the terminal rings are twisted by an angle of 42.19 (10)°, while the biphenyl part is not planar, with a dihedral angle between the rings of 39.2 (1)°. The dihedral angle between the nitro-phenyl ring and the inner benzene ring is 5.56 (9)°. The 3-nitro group is approximately coplanar with the benzene ring to which it is attache ...[more]

PMID: 25878861

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