The first crystal structure of the pyrrolo-[1,2- c]oxazole ring system

Mohamed M Zreigh; Harry Adams; Richard F W Jackson; Craig C Robertson

doi:10.1107/S2056989019011095

The first crystal structure of the pyrrolo-[1,2- c]oxazole ring system

Acta Crystallogr E Crystallogr Commun. 2019 Aug 23;75(Pt 9):1336-1338. doi: 10.1107/S2056989019011095. eCollection 2019 Sep 1.

Authors

Mohamed M Zreigh¹, Harry Adams², Richard F W Jackson², Craig C Robertson²

Affiliations

¹ Department of Chemistry, Faculty of Science, Zawia University, PO Box 16168, Zawia, Libya.
² Department of Chemistry, The University of Sheffield, Dainton Building, Sheffield S3 7HF, UK.

Abstract

The title compound, C₇H₄F₃NO₂, 3-tri-fluoro-methyl-1H-pyrrolo-[1,2-c]oxazol-1-one, is the first crystal structure of the pyrrolo-[1,2-c]oxazole ring system: the fused ring system is almost planar (r.m.s. deviation = 0.006 Å). In the crystal, weak C-H⋯O and C-H⋯F hydrogen bonds link the mol-ecules into [001] chains and π-π stacking inter-actions consolidate the structure.

Keywords: crystal structure; hydrogen bonds; pyrrolo[1,2-c]oxazole.