Crystal structure and Hirshfeld surface analysis of ( E )-3-(2-chloro-4-fluoro-phen-yl)-1-(2,5-di-chloro-thio-phen-3-yl)prop-2-en-1-one.

Autor: Sanjeeva Murthy TN; Department of Chemistry, Sri Siddhartha Academy of Higher Education, Tumkur 572 107, Karnataka, India., Naveen S; Department of Physics, School of Engineering and Technology, Jain University, Bangalore 562 112, India., Chidan Kumar CS; Department of Engineering Chemistry, Vidya Vikas Institute of Engineering & Technology, Visvesvaraya Technological University, Alanahally, Mysuru 570 028, Karnataka, India., Veeraiah MK; Department of Chemistry, Sri Siddhartha Institute of Technology, Tumkur 572 105, Karnataka, India., Quah CK; X-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang, Malaysia., Siddaraju BP; Department of Chemistry, Cauvery Institute of Technology, Mandya 571 402, Karnataka, India., Warad I; Department of Chemistry, Science College, An-Najah National University, PO Box 7, Nablus, West Bank, Palestinian Territories.
Jazyk: angličtina
Zdroj: Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2018 Jul 24; Vol. 74 (Pt 8), pp. 1134-1137. Date of Electronic Publication: 2018 Jul 24 (Print Publication: 2018).
DOI: 10.1107/S2056989018010216
Abstrakt: In the title chalcone-thio-phene derivative, C 13 H 6 Cl 3 FOS, the aromatic rings are inclined to one another by 12.9 (2)°, and the thio-phene ring is affected by π-conjugation. In the crystal, mol-ecules are linked by C-H⋯F hydrogen bonds, forming an R 2 2 (8) ring motif. A Hirshfeld surface analysis was conducted to verify the contribution of the different inter-molecular inter-actions. The shape-index surface clearly shows that the two sides of the mol-ecules are involved in the same contacts with neighbouring mol-ecules and the curvedness plots show flat surface patches characteristic of planar stacking.
Databáze: MEDLINE