MOLECULAR AND CRYSTAL STRUCTURE OF 2,4,6-TRIAZIDOPYRIMIDINE AND ITS CHLORO-SUBSTITUTED DERIVATIVE
D. V. Korchagin, S. M. Aldoshin, A. V. Chernyak, S. V. Chapyshev
Institute of Problems of Chemical Physics, Russian Academy of Sciences, Chernogolovka, Russia
Keywords: азиды, пиримидины, РСА, молекулярная и кристаллическая структура, ЯМР N, энергоемкие соединения, azides, pyrimidines, single-crystal XRD, molecular and crystal structure, N NMR
, high-energy compounds
Abstract
Single-crystal X-ray diffraction combined with quantum-chemical calculations and 15N NMR spectroscopy is used to investigate the molecular and crystal structures of the high-energy 2,4,6-triazidopyrimidine and 2,4,6-triazido-5-chloropyrimidine and analyze the dependence of the structural parameters of their azido groups on the position in the pyrimidine ring.
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