Acta Crystallographica Section E

Structure Reports Online

Volume 68, Part 11 (November 2012)

organic compounds

 

rac-Ethyl 4-hydroxy-4-trifluoromethyl-6-(2,4,5-trimethoxyphenyl)-2-thio-1,3-diazinane-5-carboxylate

Y.-Q. Li and Z.-Y. Ju

Abstract: In the title compound, C₁₇H₂₁F₃N₂O₆S, the hexahydropyrimidine ring adopts a half-chair conformation: the mean plane formed by the ring atoms excluding the C atom bonded to the ethoxycarbonyl group has an r.m.s. deviation of 0.0427 Å and forms a dihedral angle of 66.41 (5)° with the benzene ring. The molecular conformation is stabilized by an intramolecular hydroxyl O-HO_carboxyl hydrogen bond, generating an S(6) ring. In the crystal, pairs of N-HS and N-HO hydrogen bonds give rise to the formation of two-dimensional networks lying parallel to the ab plane, which incorporate graph-set motifs R²₂(8) and R²₂(16), respectively.

	Hyper-Text Markup Language (HTML) file [ doi:10.1107/S1600536812041013/zs2236sup0.html ] Supplementary materials
	Chemical Markup Language (CML) file (7.8 kbytes) [ doi:10.1107/S1600536812041013/zs2236Isup3.cml ] Supplementary material

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