Single crystal X-ray diffraction study of 2,4,6-triazidopyridine and its 3,5-dibromosubstituted derivative
D.V. Korchagin, S.M. Aldoshin, S.V. Chapyshev
Institute of Problems of Chemical Physics, Russian Academy of Sciences, Chernogolovka, Moscow oblast, 142432 Russia
Keywords: полиазиды, РСА, молекулярная и кристаллическая структура, реакционная способность, высокоэнергетические соединения, polyazides, X-ray crystallography, molecular and crystal structure, reactivity, high-energy compounds
Abstract
By the single crystal X-ray diffraction analysis in combination with quantum chemical calculations the molecular and crystal structures of energy-intensive 2,4,6-triazipyridine 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 b-positions of the pyridine ring is analyzed. The effect of the intramolecular contact involving the central nitrogen atom of -azido groups in substituted triazides on their structure and properties is revealed.
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