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Methyl 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

✍ Scribed by Shang, Zhen-Hua ;Ha, Jing

Publisher
International Union of Crystallography
Year
2007
Tongue
English
Weight
865 KB
Volume
63
Category
Article
ISSN
1600-5368

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✦ Synopsis

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-HÁ Á ÁS and O-HÁ Á ÁO hydrogen bonds. The tetrahydropyrimidin-2-one ring is twisted.

📜 SIMILAR VOLUMES

Ethyl 4-(4-hydroxy-3-methoxyphenyl)-6-me
Ethyl 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
✍ Shang, Zhen-Hua ;Xiu, Yong ;Lin, Yan-Yan 📂 Article 📅 2007 🏛 International Union of Crystallography 🌐 English ⚖ 741 KB

In the title compound, C 15 H 18 N 2 O 4 S, the packing is consolidated by an intra/intermolecular bifurcated O-HÁ Á Á(O,O) and intermolecular N-HÁ Á ÁS hydrogen bonds. The tetrahydropyrimidin-2-one ring is twisted. ## Related literature For background, see: Kappe (1993). ## Experimental Cryst

Ethyl 6-methyl-4-(2-phenyltriazol-4-yl)-
Ethyl 6-methyl-4-(2-phenyltriazol-4-yl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
✍ Xie, Fang ;Huang, He ;Liu, Gang ;Liu, Chen-Jiang 📂 Article 📅 2007 🏛 International Union of Crystallography 🌐 English ⚖ 352 KB

In the crystal structure of the title compound, C 16 H 17 N 5 O 2 S, molecules are linked by two N-HÁ Á ÁS hydrogen bonds, with N-S distances of 3.3469 (13) and 3.3703 (13) A ˚and N-H Á Á ÁS angles of 158 and 162 .

Methyl 6-methyl-2-oxo-4-(3,4,5-trimethox
Methyl 6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
✍ Shang, Zhen-Hua ;Shang, Qing 📂 Article 📅 2007 🏛 International Union of Crystallography 🌐 English ⚖ 103 KB

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.