X-ray diffraction studies of 5-functionalized substituted 1,2,3,4-tetrahydropyrimidin-2-ones(thiones): I. Molecular structures of 5-acetyl-4-ethyl-6-methyl-1,2,3,4-tetrahydropyrimidine-2-thione, 5-acetyl-6-methyl-4-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidine-2-thione, and 5-acetyl-4-(4-methoxyphenyl)-6-methyl-1,2,3,4-tetrahydropyrimidin-2-one
โ Scribed by G. V. Gurskaya; V. E. Zavodnik; A. D. Shutalev
- Book ID
- 110133545
- Publisher
- SP MAIK Nauka/Interperiodica
- Year
- 2003
- Tongue
- English
- Weight
- 86 KB
- Volume
- 48
- Category
- Article
- ISSN
- 1063-7745
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๐ SIMILAR VOLUMES
The title compound, C 14 H 16 N 2 O 4 S, was synthesized by the reaction of 4-hydroxy-3-methoxybenzaldehyde, thiourea and methyl 3-oxobutanoate in ethanol under reflux. The crystal structure is stabilized mainly through intermolecular N-Hร ร รS and O-Hร ร รO hydrogen bonds. The tetrahydropyrimidin-2
In the title compound, C 15 H 18 N 2 O 4 S, the packing is consolidated by an intra/intermolecular bifurcated O-Hร ร ร(O,O) and intermolecular N-Hร ร รS hydrogen bonds. The tetrahydropyrimidin-2-one ring is twisted. ## Related literature For background, see: Kappe (1993). ## Experimental Cryst
Single-crystal X-ray study T = 294 K Mean (C-C) = 0.005 A R factor = 0.052 wR factor = 0.148 Data-to-parameter ratio = 12.7 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.