Crystal structure of 1-[3,5-bis-(tri-fluoro-meth-yl)phen-yl]-2-bromo-ethan-1-one

Sandeep Chandrashekharappa; Keshab M Bairagi; Mahendra K Mohan; Viresh Mohanlall; Kabange Kasumbwe; Katharigatta N Venugopala; Susanta K Nayak

doi:10.1107/S2056989018007478

Crystal structure of 1-[3,5-bis-(tri-fluoro-meth-yl)phen-yl]-2-bromo-ethan-1-one

Acta Crystallogr E Crystallogr Commun. 2018 May 31;74(Pt 6):868-870. doi: 10.1107/S2056989018007478. eCollection 2018 Jun 1.

Authors

Sandeep Chandrashekharappa¹, Keshab M Bairagi², Mahendra K Mohan¹, Viresh Mohanlall³, Kabange Kasumbwe³, Katharigatta N Venugopala³, Susanta K Nayak²

Affiliations

¹ Institute for Stem Cell Biology and Regenerative Medicine (inStem), GKVK Campus, Bellary Road, Bangalore 560 065, Karnataka, India.
² Department of Chemistry, Visvesvaraya National Institute of Technology, Nagpur 440010, Maharashtra, India.
³ Department of Biotechnology and Food Technology, Faculty of Applied Science, Durban University of Technology, Durban 4001, South Africa.

Abstract

The title compound, C₁₀H₅BrF₆O, synthesized via continuous stirring of 3,5-bis-(tri-fluoro-meth-yl) aceto-phenone with bromine in an acidic medium and concentrated under reduced pressure, crystallizes with four mol-ecules in the unit cell (Z = 4) and one formula unit in the asymmetric unit. In the crystal, mol-ecules are linked in a head-to-tail fashion into dimers along the b-axis direction through weak C-H⋯Br and C-O⋯Csp² inter-actions. C-H⋯O, C-F⋯π and F⋯F inter-actions are also observed.

Keywords: crystal structure; trifluoromethyl)phenylbromoethanone; weak interactions.

Grants and funding

This work was funded by National Research Foundation grants 96807 and 98884. Durban University of Technology grant . VNIT Nagpur grant to Keshab M. Bairagi.