SYNTHESIS AND CRYSTAL-STRUCTURE OF (R)-TH IAZOLIDINE-2-THIONE-4-CARBOXYLIC ACID

The title compound with [alpha](D)(20) - 87.5 degrees and yield 66% wa s prepared by the reaction of L-cysteine hydrochloride monohydrate and carbondisulfide in the presence of sodium hydroxide and cupric sulfat e hydrate. The crystal structure was determined by X-ray diffraction m ethod. The crystal is orthorhombic system, space group Pz(1)z(1)z(1), alpha = 0.502 9(2) nm, b = 0.774 9(5) nm, c = 1.630 0(5) nm, V = O.635 0(5) nm(3), z = 4. The electronic structure of the title compound was studied by molecular orbital PM3 method. The nature of the near front ier orbital and distribution of the calculated net charges and bond or ders were obtained. The active site was described.