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5-Fluoro-1-(penta-noyl)pyrimidine-2,4(1H,3H)-dione.

ABSTRACT: The penta-noyl group and the 5-fluoro-uracil moiety of the title compound, C(9)H(11)FN(2)O(3), are essentially coplanar, with the penta-noyl carbonyl group oriented towards the ring CH group and away from the nearer ring carbonyl group. In the crystal structure, two inversion-related mol-ecules form a dimer structure, in which two N-H?O hydrogen bonds generate an inter-molecular R(2) (2)(8) ring. In addition, there are intra- and inter-molecular C-H?O inter-actions.

SUBMITTER: Lehmler HJ

PROVIDER: S-EPMC2960789 | biostudies-literature | 2008 Feb

REPOSITORIES: biostudies-literature

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5-Fluoro-1-(penta-noyl)pyrimidine-2,4(1H,3H)-dione.

Lehmler Hans-Joachim HJ Parkin Sean S

Acta crystallographica. Section E, Structure reports online 20080222 Pt 3

The penta-noyl group and the 5-fluoro-uracil moiety of the title compound, C(9)H(11)FN(2)O(3), are essentially coplanar, with the penta-noyl carbonyl group oriented towards the ring CH group and away from the nearer ring carbonyl group. In the crystal structure, two inversion-related mol-ecules form a dimer structure, in which two N-H⋯O hydrogen bonds generate an inter-molecular R(2) (2)(8) ring. In addition, there are intra- and inter-molecular C-H⋯O inter-actions. ...[more]

PMID: 21201951

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