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


Citation

Tawfeeq, Nabeel Arif and Kwong, Huey Chong and Mohamed Tahir, Mohamed Ibrahim and Ravoof, Thahira B. S. A. (2019) Crystal structure and Hirshfeld surface analysis of a conformationally unsymmetrical bischalcone: (1E,4E)-1,5-bis(4-bromophenyl)penta-1,4-dien-3- one. Acta Crystallographica Section E: Crystallographic Communications, 75. pp. 774-779. ISSN 2056-9890

Abstract

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.


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Additional Metadata

Item Type: Article
Divisions: Faculty of Science
DOI Number: https://doi.org/10.1107/S2056989019006480
Publisher: International Union of Crystallography
Keywords: Crystal structure; Bischalcone; Pentadienone bridge; C—H interactions; Hirshfeld surface analysis
Depositing User: Ms. Nuraida Ibrahim
Date Deposited: 21 Jul 2022 07:46
Last Modified: 21 Jul 2022 07:46
Altmetrics: http://www.altmetric.com/details.php?domain=psasir.upm.edu.my&doi=10.1107/S2056989019006480
URI: http://psasir.upm.edu.my/id/eprint/81058
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