Fulltext

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

Sheshadri SN 1 , Atioğlu Z 2 , Akkurt M 3 , Veeraiah MK 4 , Quah CK 5 , Chidan Kumar CS 6 Show all authors , Siddaraju BP 7

Affiliations 

  • 1 Department of Chemistry, GSSS Institute of Engineering & Technology for Women, Mysuru 570 016, Karnataka, India
  • 2 İlke Education and Health Foundation, Cappadocia University, Cappadocia Vocational College, The Medical Imaging Techniques Program, 50420 Mustafapaşa, Ürgüp, Nevşehir, Turkey
  • 3 Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Turkey
  • 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 Engineering Chemistry, Vidya Vikas Institute of Engineering & Technology, Visvesvaraya Technological University, Alanahalli, Mysuru 570 028, Karnataka, India
  • 7 Department of Chemistry, Cauvery Institute of Technology, Mandya 571 402, Karnataka, India
Acta Crystallogr E Crystallogr Commun, 2018 Aug 01;74(Pt 8):1063-1066.
PMID: 30116562 DOI: 10.1107/S2056989018009416

Abstract

In the mol-ecule of the title compound, C17H14BrFO3, the aromatic rings are tilted with respect to the enone bridge by 13.63 (14) and 4.27 (15)°, and form a dihedral angle 17.91 (17)°. In the crystal, centrosymmetrically related mol-ecules are linked by pairs of C-H⋯O hydrogen bonds into dimeric units, forming rings of R22(14) graph-set motif. The dimers are further connected by weak C-H⋯O hydrogen inter-actions, forming layers parallel to (10). Hirshfeld surface analysis shows that van der Waals inter-actions constitute the major contribution to the inter-molecular inter-actions, with H⋯H contacts accounting for 29.7% of the surface.

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

Similar publications