Quantitative analysis of weak non-covalent interactions in (Z)-3-(4-chlorophenyl)-2-phenylacrylonitrile: insights from PIXEL and Hirshfeld surface analysis

Abstract

In the solid state, the title compound, C15H10ClN, is disordered over two orientations with a refined occupancy ratio of 0.86 (2):0.14 (2). The crystal structure is mainly stabilized by intermolecular C—H...N and C—H...Cl hydrogen bonds, and C—H...π interactions. The molecules pack in columns and adjacent columns are linked by weak C—H...Cl interactions. The PIXEL energy analysis suggests that the intermolecular C—H...π interactions form a strong dimer in the major component. Hirshfeld analysis reveals that H...C, H...H, H...Cl and H...N contacts are the most important contributors to the crystal packing.