Work

Crystal structure and Hirshfeld surface analysis of 3-(4-methoxyphenyl)-2-[(thiophen-2-yl)carbonyl]acrylonitrile

Year: 2026

Type: article

Abstract: In the title compound, C 15 H 11 NO 2 S, the intramolecular C—H...O hydrogen-bond interaction forms an S (6) ring motif. The dihedral angle between the planes of the thiophene and methoxyphenyl ringss 12.26 (15)°. In the crystal, molecular pairs are joined by C—H...N contacts, forming R 2 2 (16) motifs lying parallel to the (001) plane. They are connected by C—O...π and π–π interactions [centroid-to-centroid lengths = 3.9049 (18) and 3.9050 (18) Å], resulting in layers parallel to the (100) plane. These layers are linked by C—H...N interactions. Hirshfeld surface analysis indicates that H...H (35.3%), O...H/H...O (13.5%), C...C (12.5%), N...H/H...N (11.6%), C...H/H...C (11.6%) and S...H/H...S (9.0%) interactions make significant contributions.

Source: Acta Crystallographica Section E Crystallographic Communications

DOI: 10.1107/s205698902601042x