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Die Kristallstruktur des Perchlordimethyltrisulfids Cl 3 C–S 3 –CCl 3

1961; De Gruyter; Volume: 116; Issue: 3-6 Linguagem: Inglês

10.1524/zkri.1961.116.3-6.290

2366-1798

H. J. Berthold,

Organic Chemistry Cycloaddition Reactions

The remarkable properties of perchloro-dimethyl-trisulphide Cl3C–S3–CCl3 compared with other sulphane derivatives, especially with perfluoro-dimethyltrisulphide F3C–S3–CF3, made it desirable to determine its crystal structure accurately, in order to obtain data on the bonding. Perchloro-dimethyl-trisulphide is monoclinic with lattice constants a = 9.338 Å, b = 5.890 Å. c = 20.069 Å ±0.005 Å, β = 91°59′. There are four molecules in the unit cell; space group C2h5–P21/c. The structure was solved using the statistical method of Zachakiasen to determine the signs as well as with the help of Fourier projections and generalized Fourier projections. The refinement of the atomic coordinates obtained from electron-density maps was made using the method of least squares on an IBM 704 computer.