BTATz-1,3-丙二胺盐的晶体结构和热行为

Crystal Structure and Thermal Behavior of the 1,3-propane Diamine Salt of BTATz

利用3,6-双(1-氢-1,2,3,4-四唑-5-氨基)-1,2,4,5-四嗪(BTATz)与1,3-丙二胺在DMSO中合成了标题化合物BTATz-1,3-丙二胺盐。室温下培养出化合物单晶,通过X射线衍射测定了其晶体结构。晶体属于单斜系,空间群为Cc,晶胞参数为:a=2.2699(10)nm,b=0.5098(2)nm,c=1.6449(6)nm,β=93.045(15)°,V=1.9008(13)nm3,Dc=1.504 g/cm3,Z=4,F(000)=912,R1=0.0673,wR2=0.2002。通过NETZSCH TASC 414/3A同步热分析仪研究了化合物的热分解行为,结果显示化合物只有一个热分解放热过程。

The title compound 1,3-propane diamine salt of BTATz was synthesized by the reaction of 3,6-bis（1H-1,2,3,4-tetrazol-5-ylamino）-1,2,4,5-tetrazine（ BTATz） wish 1,3-propane diamine in the DMSO.Single crystals suitable for X-ray measurement were obtained at room temperature.The crystal was monoclinic system, space group was Cc with crystal parameters of a=2.2699 （ 10 ） nm, b=0.5098 （ 2 ） nm, c=1.6449 （ 6 ） nm, β=93.045 （ 15 ） ＆#176;, V=1.9008（13） nm3 , Dc=1.504 g/cm3 , Z=4, F（000）=912, R1=0.0673, wR2=0.2002.The thermal decomposition of the compound was researched by NETZSCH TASC 414/3A thermal analyzer, the results showed that the thermal decomposition of the compound included only an exothermic process.