Abstract
The first structural characterization of a member of the class of compounds R 2Te(X)OTe(X)R 2 is reported. Three-dimensional X-ray crystal structure analysis shows that (Ph 2TeNCS) 2O is molecular in the solid state. The molecule has two-fold symmetry, with the rotation axis passing through the oxygen atom and bisecting the Te-O-Te angle. The ether-like Te-O-Te moiety is bent, 121.7(4)°, with a Te-O distance of 1.985(4)Å. An intermolecular Te-S contact at 3.416(3)Å completes a square-pyramidal geometry around the tellurium atom, and links the molecules into chains running parallel to the c axis. The Te-N bond distance, 2.40(1)Å, is considerably longer than the sum of covalent radii, indicating a tendency toward ionic character in the bond. Refinement of the structure, based on 1662 reflections collected by automatic diffractometry, converged to a conventional R factor of 6.5% and a weighted R factor of 6.2%. Crystal data for (Ph 2TeNCS) 2O are as follows: space group C2/c, a = 18.540(5)Å, b = 13.487(6)Å, c = 10.934(4)Å, β = 94.72(2)°, V = 2725Å 3 (23 ± 1°C) and Z = 4.
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