Redetermination of 3-deaza­uracil

The crystal structure of the title compound, 4-hydr­oxy-2-pyridone, C(5)H(5)NO(2), which has been the subject of several determinations using X-rays and neutron diffraction, was first reported by Low & Wilson [Acta Cryst. (1983). C39, 1688–1690]. It has been redetermined, providing a significant...

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Autor principal: Portalone, Gustavo
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2961372/
https://www.ncbi.nlm.nih.gov/pubmed/21202619
http://dx.doi.org/10.1107/S1600536808014578
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author Portalone, Gustavo
author_facet Portalone, Gustavo
author_sort Portalone, Gustavo
collection PubMed
description The crystal structure of the title compound, 4-hydr­oxy-2-pyridone, C(5)H(5)NO(2), which has been the subject of several determinations using X-rays and neutron diffraction, was first reported by Low & Wilson [Acta Cryst. (1983). C39, 1688–1690]. It has been redetermined, providing a significant increase in the precision of the derived geometric parameters. The asymmetric unit comprises a planar 4-enol tautomer having some degree of delocalization of π-electron density through the mol­ecule. In the crystal structure, the mol­ecules are connected into chains by two strong O—H⋯O and N—H⋯O hydrogen bonds between the OH and NH groups and the carbonyl O atom.
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spelling pubmed-29613722010-12-30 Redetermination of 3-deaza­uracil Portalone, Gustavo Acta Crystallogr Sect E Struct Rep Online Organic Papers The crystal structure of the title compound, 4-hydr­oxy-2-pyridone, C(5)H(5)NO(2), which has been the subject of several determinations using X-rays and neutron diffraction, was first reported by Low & Wilson [Acta Cryst. (1983). C39, 1688–1690]. It has been redetermined, providing a significant increase in the precision of the derived geometric parameters. The asymmetric unit comprises a planar 4-enol tautomer having some degree of delocalization of π-electron density through the mol­ecule. In the crystal structure, the mol­ecules are connected into chains by two strong O—H⋯O and N—H⋯O hydrogen bonds between the OH and NH groups and the carbonyl O atom. International Union of Crystallography 2008-05-17 /pmc/articles/PMC2961372/ /pubmed/21202619 http://dx.doi.org/10.1107/S1600536808014578 Text en © Gustavo Portalone* 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
Portalone, Gustavo
Redetermination of 3-deaza­uracil
title Redetermination of 3-deaza­uracil
title_full Redetermination of 3-deaza­uracil
title_fullStr Redetermination of 3-deaza­uracil
title_full_unstemmed Redetermination of 3-deaza­uracil
title_short Redetermination of 3-deaza­uracil
title_sort redetermination of 3-deaza­uracil
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2961372/
https://www.ncbi.nlm.nih.gov/pubmed/21202619
http://dx.doi.org/10.1107/S1600536808014578
work_keys_str_mv AT portalonegustavo redeterminationof3deazauracil

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