MINO]PIPERIDYL)-3-(3,4-DIFLUOROPHENOXY)-2-PROPANOL (LUBELUZOLE)())

The crystal structure and absolute configuration of the (+) enantiomer of the title compound, C22H25F2N3O2S, have been determined. The absol ute configuration is S. difluorophenyl rings. The conformation is ap/s c/ap in molecule A and ap/ap/ap in molecule B (ap is antiperiplanar an d sc is synclinal). In both molecules, the hydroxy O atom is -sc with respect to the piperidyl N atom. This conformation is stabilized by an O-H ... N intramolecular hydrogen bond [012A-H12A 0.820, H12A ... N14 A 2.23, 012A ... N14A 2.706(2)Angstrom and 012A-H12A ... N14A 117.5 de grees; 012B-H12B 0.820, H12B ... N14B 2.21, 012B ... N14B 2.704(2) Ang strom and 012B-H12B ... N14B 118.6 degrees]. The packing of the molecu les is due purely to van der Waals forces. The absolute configuration was established to be S according to the procedure of Flack (1983).