5-Fluoro-1-(3-metylbutano­yl)pyrimidine-2,4(1H,3H)-dione

The 3-methyl­butanoyl group and the 5-fluoro­uracil unit of the title compound, C(9)H(11)FN(2)O(3), are essentially coplanar, with the carbonyl group oriented towards the ring CH group and away from the nearer ring carbonyl group. The 3-methyl­butanoyl (C=)C—N—C=O torsion angle of 9.6 (2)° is compar...

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Detalles Bibliográficos
Autores principales: Lehmler, Hans-Joachim, Parkin, Sean
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2961032/
https://www.ncbi.nlm.nih.gov/pubmed/21202094
http://dx.doi.org/10.1107/S1600536808006296
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author Lehmler, Hans-Joachim
Parkin, Sean
author_facet Lehmler, Hans-Joachim
Parkin, Sean
author_sort Lehmler, Hans-Joachim
collection PubMed
description The 3-methyl­butanoyl group and the 5-fluoro­uracil unit of the title compound, C(9)H(11)FN(2)O(3), are essentially coplanar, with the carbonyl group oriented towards the ring CH group and away from the nearer ring carbonyl group. The 3-methyl­butanoyl (C=)C—N—C=O torsion angle of 9.6 (2)° is comparable to that in structurally related compounds. In the solid state, two inversion-related mol­ecules form N—H⋯O hydrogen bonds to generate an inter­molecular R (2) (2)(8) ring. The crystal structure also diplays intra- and inter­molecular C—H⋯O inter­actions.
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spelling pubmed-29610322010-12-30 5-Fluoro-1-(3-metylbutano­yl)pyrimidine-2,4(1H,3H)-dione Lehmler, Hans-Joachim Parkin, Sean Acta Crystallogr Sect E Struct Rep Online Organic Papers The 3-methyl­butanoyl group and the 5-fluoro­uracil unit of the title compound, C(9)H(11)FN(2)O(3), are essentially coplanar, with the carbonyl group oriented towards the ring CH group and away from the nearer ring carbonyl group. The 3-methyl­butanoyl (C=)C—N—C=O torsion angle of 9.6 (2)° is comparable to that in structurally related compounds. In the solid state, two inversion-related mol­ecules form N—H⋯O hydrogen bonds to generate an inter­molecular R (2) (2)(8) ring. The crystal structure also diplays intra- and inter­molecular C—H⋯O inter­actions. International Union of Crystallography 2008-03-12 /pmc/articles/PMC2961032/ /pubmed/21202094 http://dx.doi.org/10.1107/S1600536808006296 Text en © Lehmler and Parkin 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
Lehmler, Hans-Joachim
Parkin, Sean
5-Fluoro-1-(3-metylbutano­yl)pyrimidine-2,4(1H,3H)-dione
title 5-Fluoro-1-(3-metylbutano­yl)pyrimidine-2,4(1H,3H)-dione
title_full 5-Fluoro-1-(3-metylbutano­yl)pyrimidine-2,4(1H,3H)-dione
title_fullStr 5-Fluoro-1-(3-metylbutano­yl)pyrimidine-2,4(1H,3H)-dione
title_full_unstemmed 5-Fluoro-1-(3-metylbutano­yl)pyrimidine-2,4(1H,3H)-dione
title_short 5-Fluoro-1-(3-metylbutano­yl)pyrimidine-2,4(1H,3H)-dione
title_sort 5-fluoro-1-(3-metylbutano­yl)pyrimidine-2,4(1h,3h)-dione
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2961032/
https://www.ncbi.nlm.nih.gov/pubmed/21202094
http://dx.doi.org/10.1107/S1600536808006296
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AT parkinsean 5fluoro13metylbutanoylpyrimidine241h3hdione

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