Crystal structure, Hirshfeld surface analysis and DFT studies of (E)-1-(4-bromophenyl)-3-(3-fluorophenyl)prop-2-en-1-one

Crystal structure, Hirshfeld surface analysis and DFT studies of (E)-1-(4-bromophenyl)-3-(3-fluorophenyl)prop-2-en-1-one

The asymmetric unit of the title halogenated chalcone derivative, C15H10BrFO, contains two independent molecules, both adopting an s-cis configuration with respect to the C=O and C=C bonds. In the crystal, centrosymmetrically related molecules are linked into dimers via intermolecular hydrogen bonds...

Full description

Bibliographic Details
Main Authors: Muhamad Fikri Zaini, Ibrahim Abdul Razak, Mohamad Zahid Anis, Suhana Arshad
Format: Article
Language:English
Published: International Union of Crystallography 2019-01-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
halogen chalcone
crystal structure
DFT
Hirshfeld surface
UV–vis
HOMO–LUMO
molecular electrostatic potential
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989018017371

Internet

http://scripts.iucr.org/cgi-bin/paper?S2056989018017371

Similar Items