Crystal structure and Hirshfeld surface analysis of a chalcone derivative: ( E )-3-(4-fluoro-phen-yl)-1-(4-nitro-phen-yl)prop-2-en-1-one.

Autor: Wong QA; X-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang, Malaysia., Chia TS; X-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang, Malaysia., Kwong HC; School of Chemical Sciences, Universiti Sains Malaysia, 11800 USM, Penang, Malaysia., Chidan Kumar CS; Department of Engineering Chemistry, Vidya Vikas Institute of Engineering and Technology, Visvesvaraya Technological University, Alanahalli, Mysuru 570 028, India., Quah CK; X-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang, Malaysia., Arafath MA; Department of Chemistry, Shahjalal University of Science and Technology, Sylhet, 3114, Bangladesh.
Jazyk: angličtina
Zdroj: Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2019 Jan 01; Vol. 75 (Pt 1), pp. 53-57. Date of Electronic Publication: 2019 Jan 01 (Print Publication: 2019).
DOI: 10.1107/S2056989018017450
Abstrakt: The mol-ecular structure of the title chalcone derivative, C 15 H 10 FNO 3 , is nearly planar and the mol-ecule adopts a trans configuration with respect to the C=C double bond. The nitro group is nearly coplanar with the attached benzene ring, which is nearly parallel to the second benzene ring. In the crystal, mol-ecules are connected by pairs of weak inter-molecular C-H⋯O hydrogen bonds into inversion dimers. The dimers are further linked by another C-H⋯O hydrogen bond and a C-H⋯F hydrogen bond into sheets parallel to (104). π-π inter-actions occur between the sheets, with a centroid-centroid distance of 3.8860 (11) Å. Hirshfeld surface analysis was used to investigate and qu-antify the inter-molecular inter-actions.
Databáze: MEDLINE