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

The title compound, C(9)H(11)N(3)O(4)·H(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—H⋯...

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Detalles Bibliográficos
Autores principales: Djedouani, Amel, Boufas, Sihem, Allain, Magali, Bouet, Gilles, Khan, Mustayeen
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2960563/
https://www.ncbi.nlm.nih.gov/pubmed/21201765
http://dx.doi.org/10.1107/S1600536808026032
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author Djedouani, Amel
Boufas, Sihem
Allain, Magali
Bouet, Gilles
Khan, Mustayeen
author_facet Djedouani, Amel
Boufas, Sihem
Allain, Magali
Bouet, Gilles
Khan, Mustayeen
author_sort Djedouani, Amel
collection PubMed
description The title compound, C(9)H(11)N(3)O(4)·H(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—H⋯O, O—H⋯O and C—H⋯O hydrogen bonds, some of them involving the water molecules.
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spelling pubmed-29605632010-12-30 Zwitterionic 6-methyl-2-oxo-3-[1-(ureido­iminio)eth­yl]-2H-pyran-4-olate monohydrate Djedouani, Amel Boufas, Sihem Allain, Magali Bouet, Gilles Khan, Mustayeen Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(9)H(11)N(3)O(4)·H(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—H⋯O, O—H⋯O and C—H⋯O hydrogen bonds, some of them involving the water molecules. International Union of Crystallography 2008-08-20 /pmc/articles/PMC2960563/ /pubmed/21201765 http://dx.doi.org/10.1107/S1600536808026032 Text en © Djedouani et al. 2008 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Djedouani, Amel
Boufas, Sihem
Allain, Magali
Bouet, Gilles
Khan, Mustayeen
Zwitterionic 6-methyl-2-oxo-3-[1-(ureido­iminio)eth­yl]-2H-pyran-4-olate monohydrate
title Zwitterionic 6-methyl-2-oxo-3-[1-(ureido­iminio)eth­yl]-2H-pyran-4-olate monohydrate
title_full Zwitterionic 6-methyl-2-oxo-3-[1-(ureido­iminio)eth­yl]-2H-pyran-4-olate monohydrate
title_fullStr Zwitterionic 6-methyl-2-oxo-3-[1-(ureido­iminio)eth­yl]-2H-pyran-4-olate monohydrate
title_full_unstemmed Zwitterionic 6-methyl-2-oxo-3-[1-(ureido­iminio)eth­yl]-2H-pyran-4-olate monohydrate
title_short Zwitterionic 6-methyl-2-oxo-3-[1-(ureido­iminio)eth­yl]-2H-pyran-4-olate monohydrate
title_sort zwitterionic 6-methyl-2-oxo-3-[1-(ureido­iminio)eth­yl]-2h-pyran-4-olate monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2960563/
https://www.ncbi.nlm.nih.gov/pubmed/21201765
http://dx.doi.org/10.1107/S1600536808026032
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