Zwitterionic 6-methyl-2-oxo-3-[1-(ureidoiminio)ethyl]-2H-pyran-4-olate monohydrate

Abstract

The title compound, C9H11N3O4·H2O, was prepared by the reaction of dehydroacetic acid and semicarbazide hydrochloride. It crystallizes in a zwitterionic form with cationic iminium and anionic enolate groups. In the crystal structure, the almost planar molecules are held together by N—H...O, O—H...O and C—H...O hydrogen bonds, some of them involving the water molecules.