Crystal structure and Hirshfeld surface analysis of diethyl 2-[4-(4-fluorophenyl)-2-methyl-4-oxobutan-2-yl]malonate

Abstract

The title compound, C18H23FO5, was synthesized by reacting diethyl malonate with 1-(4-fluorophenyl)-3-methylbut-2-en-1-one. The molecule adopts a loose conformation stabilized by weak C—H...O and C—H...π interactions. In the crystal, the molecules are joined by C—H...O contacts into infinite chains along the b-axis direction with a C(6) graph-set motif. Hirshfeld surface analysis and fingerprint plots demonstrate the predominance of H...H, O...H and F...H intermolecular interactions in the crystal structure.

Keywords

• crystal structure
• malonate
• Hirshfeld surface