双呋咱并[3,4-b:3’,4’-e]吡嗪的制备及晶体结构解析

Preparation and Crystallographic Structural Analysis of Difurazano[3,4-b;3’,4’-e] Pyrazine

以自制的5,6-二肟基呋咱并[3,4-b]吡嗪为原料,经过反应获得双呋咱并[3,4-b:3′,4′-e]吡嗪(DFP),用红外、1H核磁、13C核磁及元素分析等手段表征了其各项的性能,培养了DFP的单晶,晶体结构分析表明,化合物DFP属于单斜晶系,空间群P2(1)/n,晶胞参数:a=5.190(3)A,b=4.569(2)A,c=11.793(6)A,α=90°,β=91.100(7)°,γ=90°,V=585.8(4)A3,Z=2,Dc=1.973g·cm^-3,μ=0.164mm^-1,F(000)=168。分析结构表明,DFP的能量高、稳定性好,应用前景广泛。

Difurazano[3,4-b:3’,4’-e]pyrazine(DFP) were synthesized using 5,6-dioximidofurazano [3,4-b] pyrazine,and their structures were characterized by IR、1HNMR、13C NMR and elemental analysis,The single crystals of DFP was obtained,and the results show that the crystal of DFP belongs to the orthorhombic system,space group P2(1)/n,cell parameters:a=5.190(3)A,b=4.569(2)A,c=11.793(6)A,α=90°,β=91.100(7)°,γ=90°,V=585.8(4)A 3,Z=2,Dc=1.973 g·cm^-3,μ=0.164 mm^-1,F(000)=168.This research shows that the DFP is high in energy,good in stability,and the materials have broad application prospects.