Journal article
5-Fluoro-1-(3-metylbutanoyl)pyrimidine-2,4(1H,3H)-dione
Acta crystallographica. Section E, Structure reports online, Vol.64(Pt 4), pp.o703-o703
03/12/2008
DOI: 10.1107/S1600536808006296
PMID: 21202094
Abstract
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.
Details
- Title: Subtitle
- 5-Fluoro-1-(3-metylbutanoyl)pyrimidine-2,4(1H,3H)-dione
- Creators
- Hans-Joachim Lehmler - The University of Iowa, Department of Occupational and Environmental Health, 100 Oakdale Campus, 124 IREH, Iowa City, IA 52242-5000Sean Parkin - University of Kentucky, Department of Chemistry, Lexington, KY 40506-0055
- Resource Type
- Journal article
- Publication Details
- Acta crystallographica. Section E, Structure reports online, Vol.64(Pt 4), pp.o703-o703
- DOI
- 10.1107/S1600536808006296
- PMID
- 21202094
- NLM abbreviation
- Acta Crystallogr Sect E Struct Rep Online
- ISSN
- 1600-5368
- eISSN
- 1600-5368
- Publisher
- International Union of Crystallography
- Alternative title
- C9H11FN2O3
- Language
- English
- Date published
- 03/12/2008
- Academic Unit
- Occupational and Environmental Health; Iowa Neuroscience Institute
- Record Identifier
- 9984000927302771
Metrics
32 Record Views