Azinium Azolate Inner Salts: Synthesis and Structural Studies

Article abstract of DOI:10.1021/jo00231a031

Ten mesomeric betaines of the pyridinium azolate class have been prepared from the corresponding pyridinium azole salts.Theoretical calculations (MNDO), experimental dipole moments (10 to 19 D), 1H and 13C NMR spectra, and X-ray structure of pyridinium benzimidazolate inner salts 3 and 17 have been used to determine the electronic and molecular structure of these compounds.