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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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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2008
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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 |
Sumario: | 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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