Crystal structure of ethyl (E)-2-cyano-3-(thiophen-2-yl)acrylate: two conformers forming a discrete disorder

Abstract

In the title compound, C10H9NO2S, all the non-H atoms, except for the ethyl fragment, lie nearly in the same plane. Despite the molecular planarity, the ethyl fragment presents more than one conformation, giving rise to a discrete disorder, which was modelled with two different crystallographic sites for the ethoxy O and ethoxy α-C atoms, with occupancy values of 0.5. In the crystal, the three-dimensional array is mainly directed by C—H...(O,N) interactions, giving rise to inversion dimers with R22(10) and R22(14) motifs and infinite chains running along the [100] direction.

Keywords

• crystal structure
• thiophene-based cyanoacrylate derivatives
• molecular disorder