The crystal structure and vibrational spectra of potassium oxathioamidate

Article abstract of DOI:10.1007/BF01666104

The crystal and molecular structure determination of the title compound, K-SO2NC2H2, M_r = 143.21, (1) is part of a series of determinations of N-substituted oxathioamidates.The structure has been refined using single-crystal X-ray diffraction data measured at 295 K .The crystals are orthorhombic, space group Pn2_1a, Z = 8, with cell dimensions: a = 11.399(2) Angstroem, b = 22.131(2) Angstroem, c = 4.021(1) Angstroem, V = 1014.5(7) Angstroem³.D_calc. = 1.875 mg m^-3, D_obs = 1.600 mg m^-3, F(000) = 576, μ = 13.14 cm^-1.The final agreement factors for 1979 observed reflections 3?(I)> were: R = 0.062 and R_w = 0.067.The vibrational spectra confirm the geometrical differences between the two thiooxamidate molecules.KEY WORDS: Potassium oxathioamidate.