Methyl 6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
โ Scribed by Shang, Zhen-Hua ;Shang, Qing
- Publisher
- International Union of Crystallography
- Year
- 2007
- Tongue
- English
- Weight
- 103 KB
- Volume
- 63
- Category
- Article
- ISSN
- 1600-5368
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โฆ Synopsis
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.
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
In the crystal structure of the title compound, C 16 H 17 N 5 O 2 S, molecules are linked by two N-Hร ร รS hydrogen bonds, with N-S distances of 3.3469 (13) and 3.3703 (13) A หand N-H ร ร รS angles of 158 and 162 .