"Crystal structure and Hirshfeld surface analysis of a conformationally unsymmetrical bischalcone: (1E,4E)-1,5-bis(4-bromophenyl)penta-1,4-dien-3- one"

Abstract

In the title bischalcone, C 17 H12 Br 2O, the olefinic double bonds are almost coplanar with their attached 4-bromophenyl rings [torsion angles = 10.2 (4) and 6.2 (4)], while the carbonyl double bond is in an s-trans conformation with with respect to one of the C C bonds and an s-cis conformation with respect to the other [C C—C O = 160.7 (3) and 15.2 (4), respectively]. The dihedral angle between the 4-bromophenyl rings is 51.56 (2). In the crystal, molecules are linked into a zigzag chain propagating along [001] by weak C— H interactions. The conformations of related bischalcones are surveyed and a Hirshfeld surface analysis is used to investigate and quantify the inter- molecular contacts.