3,4-双(四唑-5-基)氧化呋咱的简易合成及晶体结构（英）
摘要
3, 4-Bis(1H-5-tetrazolyl)furoxan was synthesized via cyclization reaction using 3, 4-dicyanofuroxan and sodium azide as raw materials and water as solvent under the ZnCl2 catalysis with a total yield of 91.0%. The structure was fully characterized by IR, NMR, elemental analysis, and X-ray single-crystal diffraction. Results show that the crystal belongs to the orthorhombic system, and space group is P212121 with crystal parameters of a=6.1172(14)A, b=9.657(2)A, c=14.220(3)A, V=840.0(3)A3, Z=4, Dc=1.76 g·cm-3, F(000)=448, μ=0.147 mm-1, S=1.031, the final R=0.0800 and wR=0.2523. The structure of 3, 4-bis(1H-5-tetrazolyl) furoxan is almost in one plane, indicating that a strong conjugation effect exists in the molecules. At the same time, lots of weak bonds among nitrogen atoms in the molecules can improve the density of compounds and thermal stability.