Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.003 A Ê R factor = 0.051 wR factor = 0.133 Data-to-parameter ratio = 12.0 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
3-Methyl-5-nitrouracil
✍ Scribed by Wagner, Paweł ;Kubicki, Maciej
- Book ID
- 104486754
- Publisher
- International Union of Crystallography
- Year
- 2006
- Tongue
- English
- Weight
- 110 KB
- Volume
- 62
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
The molecules of the title compound, C~5~H~5~N~3~O~4~, are approximately planar. The nitro group makes a dihedral angle of 1.3 (4)° with the plane of the six-membered ring. This coplanar disposition is a reason for the changes in valence angles in the vicinity of the nitro group. Molecules are connected into dimers by means of N—H...O hydrogen bonds, and these dimers make larger structures with the help of relatively short C—H...O hydrogen bonds.
📜 SIMILAR VOLUMES
Single-crystal X-ray study T = 213 K Mean '(C±N) = 0.003 A Ê R factor = 0.049 wR factor = 0.105 Data-to-parameter ratio = 11.1 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
Reactions of 4-nitro-3(5)-pyrazolecarboxylic acid dipotassium salt with different methylating agents in various solvents have been investigated to improve the synthesis of isomeric 1-methyl-4-nitro-3-and -5-pyrazolecarboxylic acids.