Crystal structure and Hirshfeld surface analysis of (2 E )-1-(3-bromo-phen-yl)-3-(4-fluoro-phen-yl)prop-2-en-1-one.

Autor: Atioğlu Z; İlke Education and Health Foundation, Cappadocia University, Cappadocia Vocational College, The Medical Imaging Techniques Program, 50420 Mustafapaşa, Ürgüp, Nevşehir, Turkey., Bindya S; Department of Chemistry, Sri Jayachamarajendra College of Engineering, JSS Science & Technology University, Mysore 570006, Karnataka, India., Akkurt M; Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Turkey., Chidan Kumar CS; Department of Engineering Chemistry, Vidya Vikas Institute of Engineering & Technology, Visvesvaraya Technological University, Alanahalli, Mysuru 570028, Karnataka, India.
Jazyk: angličtina
Zdroj: Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2019 Jan 04; Vol. 75 (Pt 2), pp. 146-149. Date of Electronic Publication: 2019 Jan 04 (Print Publication: 2019).
DOI: 10.1107/S2056989018018418
Abstrakt: In the title compound, C 15 H 10 BrFO, the mol-ecular structure consists of a 3-bromo-phenyl ring and a 4-fluoro-phenyl ring linked via a prop-2-en-1-one spacer. The 3-bromophenyl and 4-fluorophenyl rings make a dihedral angle of 48.90 (15)°. The mol-ecule has an E configuration about the C=C bond and the carbonyl group is syn with respect to the C=C bond. In the crystal, mol-ecules are linked by C-H⋯π inter-actions between the bromo-phenyl and fluoro-phenyl rings of mol-ecules, resulting in a two-dimensional layered structure parallel to the ab plane. The mol-ecular packing is stabilized by weak Br⋯H and F⋯H contacts, one of which is on the one side of each layer, and the second is on the other. The inter-molecular inter-actions in the crystal packing were further analysed using Hirshfeld surface analysis, which indicates that the most significant contacts are Cl⋯H/H⋯Cl (20.8%), followed by C⋯H/H⋯C (31.1%), H⋯H (21.7%), Br⋯H/H⋯Br (14.2%), F⋯H/H⋯F (9.8%), O⋯H/H⋯O (9.7%).
Databáze: MEDLINE