Structural investigation of methyl 3-(4-fluoro-benzo-yl)-7-methyl-2-phenyl-indolizine-1-carboxyl-ate, an inhibitory drug towards Mycobacterium tuberculosis

Avantika Hasija; Subhrajyoti Bhandary; Katharigatta N Venugopala; Sandeep Chandrashekharappa; Deepak Chopra

doi:10.1107/S2056989020003837

Structural investigation of methyl 3-(4-fluoro-benzo-yl)-7-methyl-2-phenyl-indolizine-1-carboxyl-ate, an inhibitory drug towards Mycobacterium tuberculosis

Acta Crystallogr E Crystallogr Commun. 2020 Mar 20;76(Pt 4):567-571. doi: 10.1107/S2056989020003837. eCollection 2020 Apr 1.

Authors

Avantika Hasija¹, Subhrajyoti Bhandary¹, Katharigatta N Venugopala^{2

3}, Sandeep Chandrashekharappa⁴, Deepak Chopra¹

Affiliations

¹ Department of Chemistry, Indian Institute of Science Education and Research Bhopal, Bhauri, Bhopal 462066, India.
² Department of Pharmaceutical Sciences, College of Clinical Pharmacy, King Faisal University, Al-Ahsa 31982, Kingdom of Saudi Arabia.
³ Department of Biotechnology and Food Technology, Durban University of Technology, Durban 4001, South Africa.
⁴ Institute for Stem Cell Biology and Regenerative Medicine, NCBS, TIFR, GKVK, Bellary Road, Bangalore 560 065, India.

Abstract

The title compound, C₂₄H₁₈FNO₃, crystallizes in the monoclinic centrosymmetric space group P2₁/n and its mol-ecular conformation is stabilized via C-H⋯O intra-molecular inter-actions. The supra-molecular network mainly comprises C-H⋯O, C-H⋯F and C-H⋯π inter-actions, which contribute towards the formation of the crystal structure. The different inter-molecular inter-actions have been further analysed via Hirshfeld surface analysis and fingerprint plots.

Keywords: Hirshfeld surface analysis; anti-TB activity drug; crystal structure; fingerprint plot; intermolecular interactions.

Grants and funding

This work was funded by Indian Institute of Science Education and Research Bhopal grant . Deanship of Scientific Research, King Faisal University grant 17122011.