Short Interactions Between Heterocyclic Sulfur-Atoms and Thiocarbonyl Sulfur or Carbonyl Oxygen-Atoms

Abstract

Short intramolecular S---S=C contacts in N-(2-thiazolylidene)-benzenecarbothioamides (11 and 12), 0.60angstrom less than the corresponding separation predicted by Van der Waals radii, are accounted for by Coulombic interactions and 3d orbital participation as a result of electron delocalisation within each molecule. Similar considerations apply to S---O=C contacts, however short S---S intermolecular interactions between sulfides are due to the asymmetric electron distribution about the bonded sulfide atoms