𝔖 Bobbio Scriptorium
✦   LIBER   ✦

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

✍ Scribed by Shang, Zhen-Hua ;Xiu, Yong ;Lin, Yan-Yan

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

No coin nor oath required. For personal study only.

✦ Synopsis

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

Crystal data C 15 H 18 N 2 O 4 S M r = 322.37 Triclinic, P1 a = 8.469 (2) A ˚b = 9.362 (3) A c = 11.183 (3) A = 97.935 (4) = 107.783 (4) = 108.777 (4) V = 771.4 (4) A ˚3 Z = 2 Mo K radiation = 0.23 mm À1 T = 294 (2) K 0.20 Â 0.18 Â 0.18 mm Data collection Bruker SMART CCD diffractometer Absorption correction: multi-scan (SADABS; Bruker, 1997) T min = 0.956, T max = 0.960 3996 measured reflections 2693 independent reflections 2011 reflections with I > 2(I) R int = 0.018 Refinement R[F 2 > 2(F 2 )] = 0.040 wR(F 2 ) = 0.107 S = 1.02 2693 reflections 211 parameters 2 restraints H atoms treated by a mixture of independent and constrained refinement Á max = 0.23 e A ˚À3

📜 SIMILAR VOLUMES

Methyl 4-(4-hydroxy-3-methoxyphenyl)-6-m
Methyl 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
✍ Shang, Zhen-Hua ;Ha, Jing 📂 Article 📅 2007 🏛 International Union of Crystallography 🌐 English ⚖ 865 KB

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

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 .