Key indicators: single-crystal X-ray study; T = 173 K; mean (C-C) = 0.003 Å; R factor = 0.048; wR factor = 0.121; data-to-parameter ratio = 14.0.The title compound, C 9 H 11 N 3 O 4 ÁH 2 O, 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-HÁ Á ÁO, O-HÁ Á ÁO and C-HÁ Á ÁO hydrogen bonds, some of them involving the water molecules.
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ExperimentalCrystal data