THE CRYSTAL-STRUCTURE AND VIBRATIONAL-SPECTRA OF POTASSIUM OXATHIOAMIDATE

The crystal and molecular structure determination of the title compoun d, K-SO2NC2H2, M(r) = 143.21, (I) is part of a series of determination s of N-substituted oxathioamidates. The structure has been refined usi ng single-crystal X-ray diffraction data measured at 295 K [MoK alpha- radiation with lambda = 0.71073 Angstrom]. The crystals are orthorhomb ic, space group P-n21a Z = 8, with cell dimensions: a = 11.399(2) Angs trom, b = 22.131(2) Angstrom, c = 4.021(1) Angstrom, V = 1014.5(7) Ang strom(3). D-calc. = 1.875 mg m(-3), D-obs = 1.600 mg m(-3), F(000) = 5 76, mu = 13.14 cm(-1). The final agreement factors for 1979 observed r eflections [I > 3 sigma(I)] were: R = 0.062 and R(w) = 0.067. The vibr ational spectra confirm the geometrical differences between the two th iooxamidate molecules.