()-5-Ethyl-1-methyl-5-phenylpyrimidine-2,4,6-trione at 163 K
✍ Scribed by Lewis, William ;McKeown, Robert H. ;Robinson, Ward T.
- Publisher
- International Union of Crystallography
- Year
- 2005
- Tongue
- English
- Weight
- 301 KB
- Volume
- 61
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
A low-temperature [163 (2) K] redetermination of the crystal structure of the title compound, C 13 H 14 N 2 O 3 [originally determined by Bideau, Marly & Housty (1969). C. R. Acad. Sci. Ser. C, 269, 549-551], has been performed. Although no gross strucural differences have been observed, H atoms have been located and the extended structure examined.
📜 SIMILAR VOLUMES
Single-crystal X-ray study T = 293 K Mean (C±C) = 0.003 A Ê Disorder in main residue R factor = 0.043 wR factor = 0.134 Data-to-parameter ratio = 12.4 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
In the title compound, C 18 H 21 NO 4 , the molecules form dimers by means of a pair of NÐHÁ Á ÁO hydrogen bonds. The 2(1H)pyridone ring displays a screw±boat conformation.
In the molecular structure of the title compound, C~8~H~7~N~5~O~3~S, the thiazole ring is oriented with respect to the barbituric acid ring at a dihedral angle of 5.14 (9)°. In the crystal structure, intermolecular N—H...N and N—H...O hydrogen bonds link the molecules, forming a layer parallel to th