Tert-Butyl N-[3-hydroxy-1-phenyl-4-(pyrimidin-2-ylsulfanyl)butan-2-yl] carbamate monohydrate

Abstract

In the title hydrate, C 19H 25N 3O 3S·H 2O, the configuration at each chiral centre in the organic molecule is S, with the hydroxy and carbamate substituents being anti [O - C - C - N torsion angle = -179.3 (3)°]. The thiopyrimidyl and carbamate residues lie to one side of the pseudomirror plane defined by the C 5S backbone of the molecule; this plane approximately bisects the benzene ring at the 1- and 4-C atoms. The dihedral angle formed between the terminal rings is 5.06 (18)°. In the crystal, supramolecular tubes aligned along the b axis are found: these are sustained by a combination of O - H⋯O, O - H⋯N and N - H⋯O hydrogen bonds.