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

Abstract

The title compound, C 6 H 4 BrNS, crystallizes in the space group P2 1 /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 BrÁ Á ÁBr halogen interactions are present at a distance of 3.582 (1) Å and with a C-BrÁ Á ÁBr angle of 140.7 (1) . Additional weaker C-HÁ Á ÁN, C-HÁ Á ÁS, and SÁ Á Á interactions are also present. A Hirshfeld analysis indicates BrÁ Á ÁBr interactions comprise only 1.9% of all the interatomic contacts.

Half-Sandwich Arene Ruthenium(II) Thiosemicarbazone Complexes: Evaluation of Anticancer Effect on Primary and Metastatic Ovarian Cancer Cell Lines

“…N4–O1 and N4-O2 bond lengths are 1.221 (3) and 1.236 (3) Å in compound L1, which are in agreement with bond distances reported for other compounds of 5-nitrothiophene ( Ceylan et al, 2011 ; Köysal et al, 2016 ; Pappenfus et al, 2018 ). The Br1–C7 bond length of 1.874 (3) Å is normal and similar to those reported in the literature ( Bernstein et al, 1995 ; Li and Li, 2009 ; Geiger et al, 2014 ).…”