The X-ray crystal and molecular structure of neohesperidin dihydrochalcone sweetener

Abstract

The molecular structure and absolute configuration of the sweetener neohesperidin dihydrochalcone have been determined by single-crystal X-ray analysis. The crystal structure consists of two crystal-lographically independent molecules which differ mainly in the orientation of the isovanillyl B-ring. The molecules are linked together by an intricate arrangement of intermolecular hydrogen bonds formed between the host and solvent water molecules. The relation between the X-ray-deduced structure of the sweetener and a hypothetical ‘active’ conformation is discussed.