Crystal structure and Hirshfeld surface analysis of (2E)-1-(4-bromophenyl)-3-(2-methylphenyl)prop-2-en-1-one

In the title compound, C16H13BrO, the planes of the aromatic rings are inclined at an angle of 23.49 (15)degrees, and the configuration about the C=C bond is E. In the crystal, the molecules are linked into chains by weak C-H center dot center dot center dot O interactions along the b axis. Successive chains form a zigzag structure along the c axis, and these chains are connected to each other by face-to-face pi-pi stacking interactions along the a axis. These layers, parallel to the (001) plane, are linked by van der Waals interactions, thus consolidating the crystal structure. Hirshfeld surface analysis showed that the most significant contacts in the structure are H center dot center dot center dot H (43.1%), C center dot center dot center dot H/H center dot center dot center dot C (17.4%), Br center dot center dot center dot H/H center dot center dot center dot Br (14.9%), C center dot center dot center dot C (11.9%) and O center dot center dot center dot H/H center dot center dot center dot O (9.8%).

Automated summary

The crystal structure of a new compound is reported, where molecules are stabilized by intermolecular C-H···O, π-π stacking, and van der Waals interactions.