Single crystal X-ray diffraction study of 2,4,6-triazidopyridine and its 3,5-dibromosubstituted derivative

By the single crystal X-ray diffraction analysis in combination with quantum chemical calculations the molecular and crystal structures of high-energy 2,4,6-triazidopyridine and 2,4,6-triazido-3,5- dibromopyridine are studied; the dependence of structural parameters of their azido groups on the size of substituents in β-positions of the pyridine ring is analyzed. The effect of the intramolecular contact involving the central nitrogen atom of γ-azido groups in substituted triazides on their structure and properties is revealed.