Acta Crystallographica Section E

Structure Reports Online

Volume 68, Part 11 (November 2012)

organic compounds

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.

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