3,4-二硝基呋咱基氧化呋咱的晶体结构

Crystal Structure of 3,4-dinitrofurazanofuroxan

从丙酮-水混合溶剂中培养得到了3,4-二硝基呋咱基氧化呋咱(DNTF)单晶,用X-射线单晶分析、元素分析以及红外光谱分析对DNTF的分子结构进行了表征。结果表明,DNTF的分子式为C6N8O8,分子量为312.14,晶体属于正交晶系,P2.2.2空间群;晶体学参数如下:a=1.0746(7)nm,b=1.5099(10)nm,c=0.6596(4)nm;V=1.0702(1)nm3;Z=4;Dc=1.937g/cm3;μ=0.182mm-1;F(000)=624。最终的偏差因子R1=0.038。

The single crystal of 3,4-dinitrofurazanofuroxan (DNTF) was cultivated from the mixed solvent of acetone and water,and was characterized by using the X-ray diffraction analysis, elemental analyses and FT-IR technique. The results show that the molecular formula is C_6N_8O_8 and the molecular weight is 312.14. The crystal is orthorhombic, space group P_(2.2.2), with crystal parameters of a=1.0746(7)nm, b=1.5099(10)nm, c=0.6596(4)nm , V=1.0702(1)nm^3, Z=4,Dc=(1.937)g/cm^3,μ=0.182mm^(-1),F(000)=624. The final R is 0.038.