Molecular and crystal structure of 2,4,6-triazidopyrimidine and its chloro-substituted derivative

Molecular and crystal structure of 2,4,6-triazidopyrimidine and its chloro-substituted derivative

Single-crystal X-ray diffraction combined with quantum-chemical calculations and 15 N 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...

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Veröffentlicht in:Journal of structural chemistry 2017-05, Vol.58 (3), p.618-623
Hauptverfasser: Korchagin, D. V., Aldoshin, S. M., Chernyak, A. V., Chapyshev, S. V.
Format: Artikel
Sprache:eng
Schlagworte:
Atomic
Atomic/Molecular Structure and Spectra
Brief Communications
Chemistry
Chemistry and Materials Science
Crystal structure
Inorganic Chemistry
Molecular
Molecular structure
NMR spectroscopy
Optical and Plasma Physics
Physical Chemistry
Quantum chemistry
Single crystals
Solid State Physics
X-ray diffraction
X-rays
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Beschreibung
Zusammenfassung:Single-crystal X-ray diffraction combined with quantum-chemical calculations and 15 N 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.
ISSN:0022-4766
1573-8779
DOI:10.1134/S0022476617030283