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

• Main Authors: Tawfeeq, Nabeel Arif, Kwong, Huey Chong, Mohamed Tahir, Mohamed Ibrahim, Ravoof, Thahira B. S. A.
• Format: Article
• Language: English
• Published: International Union of Crystallography 2019
• Online Access: http://psasir.upm.edu.my/id/eprint/81058/1/ABSTRACT.pdf; http://psasir.upm.edu.my/id/eprint/81058/; https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6658942/
• Institution: Universiti Putra Malaysia

In the title bis­chalcone, C17H12Br2O, 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⋯π inter­actions. The conformations of related bis­chalcones are surveyed and a Hirshfeld surface analysis is used to investigate and qu­antify the inter­molecular contacts.