Molecular Structure of N,N′-Bis(Phenylthio)-1,4-Quinodiimine
Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science
An x-ray diffraction structural study and CNDO/2 calculation showed that the N,N′-bis(phenylthio)-1,4-quinodiimine molecule is a planar conjugated system.
The planar conjugated molecular conjugation is stable and is apparently retained in the polymers, for which this molecule is a model of the monomer unit.
No clear indications of donor-acceptor intermolecular interaction were found in this crystal and this was attributed to levelling-out of the electronegativities of the individual molecular fragments as a consequence of conjugation between them.