The crystal and molecular structure of triphenylphosphoranylidenethioketen
- 1 January 1967
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in J. Chem. Soc. A
- p. 1913-1917
- https://doi.org/10.1039/j19670001913
Abstract
The structure of triphenylphosphoranylidenethioketen, Ph3PCCS, has been determined by single-crystal X-ray diffraction methods. The crystals are monoclinic, space-group P21/c with a= 8·722, b= 10·819, c= 17·664 Å, β= 98° 8′. The structure was solved by direct methods. The R factor is 0·072 for 1388 planes whose intensities were measured on a linear diffractometer. The hydrogen atoms were located from a difference synthesis and their co-ordinates were refined. The bond lengths in the cumulene chain are short and the chain is bent to an angle of 168° at the carbon atom attached to phosphorus. It is suggested that the d orbitals of the sulphur atom act as an electron sink thereby reducing the dπ–ππ interaction postulated to account for the shape of the Ph3PCCO molecule.Keywords
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