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Crystal structure of (3E)-3-[(4-nitro-phen-oxy)-meth-yl]-4-phenyl-but-3-en-2-one.

ABSTRACT: In the title compound, C17H15NO4, the conformation about the C=C double bond [1.348?(2)?Å] is E with the ketone group almost co-planar [C-C-C-C torsion angle = 7.2?(2)°] but the phenyl group twisted away [C-C-C-C = 160.93?(17)°]. The terminal aromatic rings are almost perpendicular to each other [dihedral angle = 81.61?(9)°] giving the mol-ecule an overall U-shape. The crystal packing feature benzene-C-H?O(ketone) contacts that lead to supra-molecular helical chains along the b axis. These are connected by ?-? inter-actions between benzene and phenyl rings [inter-centroid distance = 3.6648?(14)?Å], resulting in the formation of a supra-molecular layer in the bc plane.

SUBMITTER: Zukerman-Schpector J

PROVIDER: S-EPMC4186193 | biostudies-literature | 2014 Sep

REPOSITORIES: biostudies-literature

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Crystal structure of (3E)-3-[(4-nitro-phen-oxy)-meth-yl]-4-phenyl-but-3-en-2-one.

Zukerman-Schpector Julio J Maganhi Stella H SH Moran Paulo J S PJ de Paula Bruno R S BR Nucci Paulo R PR Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20140816 Pt 9

In the title compound, C17H15NO4, the conformation about the C=C double bond [1.348 (2) Å] is E with the ketone group almost co-planar [C-C-C-C torsion angle = 7.2 (2)°] but the phenyl group twisted away [C-C-C-C = 160.93 (17)°]. The terminal aromatic rings are almost perpendicular to each other [dihedral angle = 81.61 (9)°] giving the mol-ecule an overall U-shape. The crystal packing feature benzene-C-H⋯O(ketone) contacts that lead to supra-molecular helical chains along the b axis. These are c ...[more]

PMID: 25309202

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