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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
- Source :
- Acta Crystallographica Section E: Crystallographic Communications, Vol 75, Iss 6, Pp 774-779 (2019)
- Publication Year :
- 2019
- Publisher :
- International Union of Crystallography, 2019.
-
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.
Details
- Language :
- English
- ISSN :
- 20569890
- Volume :
- 75
- Issue :
- 6
- Database :
- Directory of Open Access Journals
- Journal :
- Acta Crystallographica Section E: Crystallographic Communications
- Publication Type :
- Academic Journal
- Accession number :
- edsdoj.3d6f3cbcdfb44b3ab7b2d6c7132fa74
- Document Type :
- article
- Full Text :
- https://doi.org/10.1107/S2056989019006480