[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o3092-o3093
[ doi:10.1107/S1600536812041013 ]

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-H...Ocarboxyl hydrogen bond, generating an S(6) ring. In the crystal, pairs of N-H...S and N-H...O 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.


Copyright © International Union of Crystallography
IUCr Webmaster