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Zwitterionic 6-methyl-2-oxo-3-[1-(ureido-iminio)eth-yl]-2H-pyran-4-olate monohydrate.

ABSTRACT: The title compound, C(9)H(11)N(3)O(4)·H(2)O, was prepared by the reaction of dehydro-acetic acid and semicarbazide hydro-chloride. It crystallizes in a zwitterionic form with cationic iminium and anionic enolate groups. In the crystal structure, the almost planar mol-ecules are held together by N-H?O, O-H?O and C-H?O hydrogen bonds, some of them involving the water molecules.

SUBMITTER: Djedouani A

PROVIDER: S-EPMC2960563 | biostudies-other | 2008 Aug

REPOSITORIES: biostudies-other

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Zwitterionic 6-methyl-2-oxo-3-[1-(ureido-iminio)eth-yl]-2H-pyran-4-olate monohydrate.

Djedouani Amel A Boufas Sihem S Allain Magali M Bouet Gilles G Khan Mustayeen M

Acta crystallographica. Section E, Structure reports online 20080820 Pt 9

The title compound, C(9)H(11)N(3)O(4)·H(2)O, was prepared by the reaction of dehydro-acetic acid and semicarbazide hydro-chloride. It crystallizes in a zwitterionic form with cationic iminium and anionic enolate groups. In the crystal structure, the almost planar mol-ecules are held together by N-H⋯O, O-H⋯O and C-H⋯O hydrogen bonds, some of them involving the water molecules. ...[more]

PMID: 21201765

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