I. Parameter refinement of potassium tungsten chloride. II. The crystal structure of sinigrin

[摘要] The various methods of investigating the crystal structure of sinigrin have led to the determination of parameters for the potassium and sulfur atoms. The potassium parameters were found by the use of the Patterson function while the parameters of the sulfur atoms were found by the use of the Patterson function and Fourier projections. On considering the distance between the two sulfur atoms and after examination of the neighboring peaks on the Fourier projections, it is probably safe to assume that the two sulfur atoms are of the syn-configuration. This is in agreement with the proposed anti-configuration for the sulfate group and the migrating group as proposed by Lundeen and Ettlinger. The parameters for the potassium and sulfur atoms are listed in Table 2.Table 2xyzK149724942S360745655S(SO4)775575918Although the complete structure has not been found by the methods used so far, the computation of a three dimensional electron density function appears to be a very promising approach for resolving the structure completely.

[发布机构] Rice University

[效力级别] chemistry