Abstract
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 [MoKα-radiation with λ=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.D calc.=1.875 mg m−3, Dobs=1.600 mg m−3,F(000)=576, μ=13.14 cm−1. The final agreement factors for 1979 observed reflections [I>3σ(I)] were:R=0.062 andR w=0.067. The vibrational spectra confirm the geometrical differences between the two thiooxamidate molecules.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
References
Germain, G.; Main, P.; Woolfson, M.M.Acta Cryst. 1971,A27, 368.
Sparks, R.A.Least-squares tutorial: Proc. Am. Crystallogr. Assoc. Meet.: Berkeley, CA, 1974; pp 99ff.
Frenz, B.A.The Enraf-Nonius CAD-4 SDP. InComputing in crystallography; Schenk, H.; Olthof-Hazekamp, R.; Van Koningsveld, H.; Bassi, G.C. Delft Univ. Press, 1978; pp 64–71.
Walker, N.; Stuart, D.Acta Cryst. 1983,A39, 159.
International Table for X-ray Crystallography Vol. IV, Birmingham: Kynoch Press, 1974.
Desseyn, H.O.; Slootmaekers, B.J.Appl. Spectrosc. 1991,45, 118.
Desseyn, H.O.Vibrational analysis of acid derivates. InThe chemistry of acid derivates, Vol. 2, Suppl. B; Patai, S., Ed.; Wiley, New York, 1992; pp 294–296.
Author information
Authors and Affiliations
Rights and permissions
About this article
Cite this article
Hereygers, M.L.B.F., Desseyn, H.O., Perlepes, S.P. et al. The crystal structure and vibrational spectra of potassium oxathioamidate. J Chem Crystallogr 25, 181–187 (1995). https://doi.org/10.1007/BF01666104
Received:
Accepted:
Issue Date:
DOI: https://doi.org/10.1007/BF01666104