Abstract
Trans-2,4,6-tris(trichloromethyl)-1,3,5-trithian, (CCl3·CHS)3, has been prepared free from persistent impurification bycis-trans-2,4,6-tris(trichloromethyl)-1,3,5-oxadithian and its conformation determined by single crystal x-ray crystallography. The title compound is orthorhombic,Pbca, a=10.479(10),b=27.957(14),c=11.093(3) A,V=3250 A3,Z=8. The structure was solved by direct methods, from data collected at room temperature on an Enraf-Nonius CAD4 diffractometer, and refined by full-matrix least squares to a finalR value at 0.074 using 1186 reflections. The molecule exhibits a twist boat conformation with the −CCl3 groups occupying pseudoequatorial positions. The torsion angles in the trithian ring are successively 29(1), −79(1), 41(1), 41(1), −84(1), 39(1)°. Average values are: S-C 1.82(2), C(ring)-C(Cl3) 1.56(4), C-Cl 1.76(2) A, S-C-S 112.7(2)°. The C-S-C angles are 97.4(7), 101.4(7), 97.3(7)°.
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