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...

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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

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