The crystal structure and vibrational spectra of potassium oxathioamidate |
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| Authors: | Marleen L. B. F. Hereygers Herman O. Desseyn Spyros P. Perlepes Koen A. F. Verhulst Albert T. H. Lenstra |
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| Affiliation: | (1) Laboratory of Inorganic Chemistry, Department of Chemistry, Rijksuniversitair Centrum Antwerpen, Groenenborgerlaan 171, 2020 Antwerpen, Belgium;(2) Department of Chemistry, University of Patras, 26010 Patra, Greece;(3) Department of Chemistry, Universitaire Instelling Antwerpen, Universiteit-plein 1, B-2610 Wilrijk, Belgium |
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| Abstract: | The crystal and molecular structure determination of the title compound, K–SO2NC2H2,Mr=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 [MoK -radiation with  =0.71073 Å]. The crystals are orthorhombic, space group Pn2la,Z=8, with cell dimensions:a=11.399(2) Å,b=22.131(2) Å,c=4.021(1) Å,V=1014.5(7) Å3.Dcalc.=1.875 mg m–3, Dobs=1.600 mg m–3,F(000)=576,  =13.14 cm–1. The final agreement factors for 1979 observed reflections [I>3 (I)] were:R=0.062 andRw=0.067. The vibrational spectra confirm the geometrical differences between the two thiooxamidate molecules. |
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| Keywords: | Potassium oxathioamidate |
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