Crystal structure and Hirshfeld surface analysis of (E)-3-(2-chloro-4-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)prop-2-en-1-one

Abstract

In the title chalcone–thiophene derivative, C13H6Cl3FOS, the aromatic rings are inclined to one another by 12.9 (2)°, and the thiophene ring is affected by π-conjugation. In the crystal, molecules are linked by C—H...F hydrogen bonds, forming an R22(8) ring motif. A Hirshfeld surface analysis was conducted to verify the contribution of the different intermolecular interactions. The shape-index surface clearly shows that the two sides of the molecules are involved in the same contacts with neighbouring molecules and the curvedness plots show flat surface patches characteristic of planar stacking.

Keywords

• Thiophene chalcone
• crystal structure
• R_{2}^{2}(8) ring motif
• hydrogen bonding
• Hirshfeld surface analysis