Crystal structure and Hirshfeld surface analysis of (2E)-3-(3-bromo-4-fluorophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.74, pp.1063-1071, 2018 (ESCI, Scopus)
- Publication Type: Article / Article
- Volume: 74
- Publication Date: 2018
- Doi Number: 10.1107/s2056989018009416
- Journal Name: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
- Journal Indexes: Emerging Sources Citation Index (ESCI), Scopus
- Page Numbers: pp.1063-1071
- Open Archive Collection: AVESIS Open Access Collection
- Erciyes University Affiliated: Yes
Abstract
In the molecule of the title compound, C17H14BrFO3, the aromatic rings are tilted with respect to the enone bridge by 13.63 (14) and 4.27 (15)degrees, and form a dihedral angle 17.91 (17)degrees. In the crystal, centrosymmetrically related molecules are linked by pairs of C-H center dot center dot center dot O hydrogen bonds into dimeric units, forming rings of R-2(2)(14) graph-set motif. The dimers are further connected by weak CH center dot center dot center dot O hydrogen interactions, forming layers parallel to (10 (1) over bar). Hirshfeld surface analysis shows that van der Waals interactions constitute the major contribution to the intermolecular interactions, with H center dot center dot center dot H contacts accounting for 29.7% of the surface.