Fulltext

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

Sanjeeva Murthy TN 1 , Naveen S 2 , Chidan Kumar CS 3 , Veeraiah MK 4 , Quah CK 5 , Siddaraju BP 6 Show all authors , Warad I 7

Affiliations 

  • 1 Department of Chemistry, Sri Siddhartha Academy of Higher Education, Tumkur 572 107, Karnataka, India
  • 2 Department of Physics, School of Engineering and Technology, Jain University, Bangalore 562 112, India
  • 3 Department of Engineering Chemistry, Vidya Vikas Institute of Engineering & Technology, Visvesvaraya Technological University, Alanahally, Mysuru 570 028, Karnataka, India
  • 4 Department of Chemistry, Sri Siddhartha Institute of Technology, Tumkur 572 105, Karnataka, India
  • 5 X-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang, Malaysia
  • 6 Department of Chemistry, Cauvery Institute of Technology, Mandya 571 402, Karnataka, India
  • 7 Department of Chemistry, Science College, An-Najah National University, PO Box 7, Nablus, West Bank, Palestinian Territories
Acta Crystallogr E Crystallogr Commun, 2018 Aug 01;74(Pt 8):1134-1137.
PMID: 30116578 DOI: 10.1107/S2056989018010216

Abstract

In the title chalcone-thio-phene derivative, C13H6Cl3FOS, 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 R22(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.

* Title and MeSH Headings from MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

Similar publications