(E)-3-(Biphenyl-4-yl)-1-(3-bromophenyl)prop-2-en-1-one

Grzegorz Dutkiewicz,H S Yathirajan,C S Chidan Kumar,Maciej Kubicki,B Narayana

doi:10.1107/s1600536809043384

Abstract

In the title compound, C21H15BrO, there are two planar rings connected through a conjugated double bond. As it crystallizes in a non-centrosymmetric space group it can be regarded as a good candidate for non-linear optical applications. The molecule adopts an E configuration and the C—C=C—C torsion angle is 177.1 (4)°. The overall conformation of the compound may be described by the values of dihedral angles between the approximately planar parts. The terminal rings are twisted by an angle of 51.52 (9)°, while the biphenyl part is almost planar, the dihedral angle between the planes of the rings being 4.44 (17)°. The unit cell has one long dimension, above 35 Å, characteristic also of a majority of related compounds. The molecules pack head-to-tail along this direction. C—H⋯π interactions are observed in the crystal structure.

Highlights

In the title compound, C21H15BrO, there are two planar rings connected through a conjugated double bond
As it crystallizes in a non-centrosymmetric space group it can be regarded as a good candidate for non-linear optical applications
The overall conformation of the compound may be described by the values of dihedral angles between the approximately planar parts

Summary

Data collection

Poland, bDepartment of Studies in Chemistry, University of Mysore, Manasagangotri, Mysore 570 006, India, and cDepartment of Studies in Chemistry, Mangalore University, Mangalagangotri 574 199, India. C21H15BrO, there are two planar rings connected through a conjugated double bond. As it crystallizes in a non-centrosymmetric space group it can be regarded as a good candidate for non-linear optical applications. The molecule adopts an E configuration and the C—C C—C torsion angle is 177.1 (4). The overall conformation of the compound may be described by the values of dihedral angles between the approximately planar parts. The terminal rings are twisted by an angle of 51.52 (9) , while the biphenyl part is almost planar, the dihedral angle between the planes of the rings being 4.44 (17). The molecules pack head-to-tail along this direction.

Oxford Diffraction Xcalibur

Related literature

Special details