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 R 2 2(8) and R 2 2(16), respectively.
Highlights
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
The molecular conformation is stabilized by an intramolecular hydroxyl O—H Ocarboxyl hydrogen bond, generating an S(6) ring
N–H O hydrogen bonds give rise to the formation of twodimensional networks lying parallel to the ab plane, which incorporate graph-set motifs R22(8) and R22(16), respectively
Summary
State Key Laboratory of Elemento-Organic Chemistry, Institute of Elemento-Organic. Nankai University, Tianjin, 300071, People’s Republic of China, and b. College of Chemistry and Chemical Engineering, Xuchang University, Xuchang, Henan Province, 461000, People’s Republic of China. R factor = 0.033; wR factor = 0.080; data-to-parameter ratio = 19.0. 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. N–H O hydrogen bonds give rise to the formation of twodimensional networks lying parallel to the ab plane, which incorporate graph-set motifs R22(8) and R22(16), respectively
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