[HTML version][PDF version] [Open access]

[Contents scheme]

Acta Cryst. (2008). E64, o703  [ doi:10.1107/S1600536808006296 ]

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

H.-J. Lehmler and S. Parkin

Abstract: The 3-methylbutanoyl group and the 5-fluorouracil unit of the title compound, C9H11FN2O3, 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 R22(8) ring. The crystal structure also diplays intra- and intermolecular C-H...O interactions.

Online 12 March 2008


Copyright © International Union of Crystallography
IUCr Webmaster