(Z)-3-(4-Methylbenzylidene)-4-oxopentanoic acid

Abstract

The title compound, C13H14O3, a levulinic acid derivative, crystallizes with two independent molecules (A and B) in the asymmetric unit. The compound adopts a Z configuration about the C=C bonds in both molecules. The dihedral angle between the toluene ring and the carboxylic acid group is 72.83 (7)° in molecule A and 83.64 (8)° in molecule B. The toluene rings are inclined to the ketone substituents by 27.03 (9)° for A and 30.84 (6)° for B. In the crystal, like molecules are linked by pairs of O—H...O hydrogen bonds, forming A–A and B-B inversion dimers.

Keywords

• crystal structure
• levulinic acid derivative
• hydrogen bonding