Title of article :
Crystal structure and Hirshfeld surface analysis of a conformationally unsymmetrical bis­chalcone: (1E,4E)-1,5-bis­(4-bromo­phen­yl)penta-1,4-dien-3-one
Author/Authors :
Tawfeeq, Nabeel Arif Department of Chemistry - Faculty of Science - Universiti Putra Malaysia, Malaysia , Kwong, Huey Chong Department of Chemistry - Faculty of Science - Universiti Putra Malaysia, Malaysia , Mohamed Tahir, Mohamed Ibrahim Department of Chemistry - Faculty of Science - Universiti Putra Malaysia, Malaysia , Ravoof, Thahira B. S. A. Department of Chemistry - Faculty of Science - Universiti Putra Malaysia, Malaysia
Pages :
10
From page :
1
To page :
10
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.
Keywords :
crystal structure , bis­chalcone , penta­dienone bridge , C—H⋯π inter­actions , Hirshfeld surface analysis
Journal title :
Acta Crystallographica Section E: Crystallographic Communications
Serial Year :
2019
Full Text URL :
Record number :
2628500
Link To Document :
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