TRANS-1,4,5,8-tetraazodecalin crystals occurring in ethylenediamine
Journal of Thermal Analysis and Calorimetry(2004)
摘要
Composition and structure of crystals of unknown origin, crystallizing spontaneously from ethylenediamine on standing, has been determined by elemental analysis, FTIR, 1 H and 13 C NMR spectroscopy and X-ray diffraction. The crystal with molecular formula C6H14N4 has been found to be a highly symmetric saturated imino compound with double-ring structure, and unambiguously identified as trans-1,4,5,8-tetraazodecalin by 1 H NMR and powder X-ray diffraction based on both its specific AA'BB' spin coupling system and simulated XRD pattern calculated from available data of previous single crystal structure determination, respectively. Simultaneous TG/DTA measurement shows one-step degradation of this compound. The volatile decomposition products have been followed by both TG/DTA-MS and TG-FTIR. Group of the largest fragments ( m / z =80, 81 and 82) observed by TG/DTA-MS corresponds to an aromatic 1,4-diazine (pyrazine). In the EGA-FTIR spectrum of released gaseous species measured at the highest evolution rate by TG-FTIR, ethylenediamine can be identified as another decomposition product.
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关键词
1,4,5,ethylenediamine,aminophylline,4-diazine,TG/DTA-EGA-MS,TG-EGA-FTIR,trans-1,8-tetraazodecalin
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