Crystal structure and Hirshfeld analysis of 2-(5-bromothiophen-2-yl)acetonitrile

Abstract

The title compound, C6H4BrNS, crystallizes in the space group P21/n with one complete molecule in the asymmetric unit. The non-H atoms are nearly planar (r.m.s for non-H atoms = 0.071 Å), with the nitrile group oriented antiperiplanar with respect to the thiophene S atom. Intermolecular Type I centrosymmetric Br...Br halogen interactions are present at a distance of 3.582 (1) Å and with a C—Br...Br angle of 140.7 (1)°. Additional weaker C—H...N, C—H...S, and S...π interactions are also present. A Hirshfeld analysis indicates Br...Br interactions comprise only 1.9% of all the interatomic contacts.