An X-ray diffraction study of some mesoionic 2,3-diphenyltetrazoles

An X-ray diffraction study is reported for four molecules of mesoionic 2,3-diphenyltetrazoles. The results confirm a dipolar mesoionic structure, aromatic character of the tetrazole ring and no conjugation between the phenyl and tetrazole rings. The geometry of the exocyclic group is discussed in detail. The molecular parameters of the compounds investigated are correlated with¹³C and¹⁵N nmr data. The results obtained are compared with similar structures which have already been studied.