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In order to continue our studies on the synthesis, properties and coordination of s-tetrazine, 3,6-di-(pyridin-3-yl)-s-tetrazine (II, 3-dptz) was synthesized and characterized by 1H- NMR, MS and IR spectra. And the coordination reaction of 3-dptz with nitrate of Cu(II) was studied. 3-dptz reacting with CuII salt [Cu(NO3)2·2H2O] generates a new salt, nitrate of 2,5-di-(pyridin-3- yl)-1,3,4-oxadiazolene (III). III was determined by IR spectra and single-crystal X-ray diffraction to give the following crystal data: space group P21/c, a = 4.9112(1), b = 8.4101(3), c = 29.499(1) , β = 93.266(2)o, V = 1216.44(7) nm3, Mr = 287.24, Z = 4, Dc = 1.568 g/cm3,μ= 0.122 mm-1, F(000) = 592, R = 0.0430 and wR = 0.1240. The results show that III is composed of one cation and one nitrate anion. The cation consists of one H+ and one 2,5-di-(pyridin-3-yl)-1,3,4-oxadiazol molecule, with the former being attached to the latter via electrovalent bond with N3 atom. And the O(42) atom in the nitrate anion is disordered. Intra- and intermolecular H-bonds are observed in the crystal of the title compound. The mechanism of metal-assisted decomposition was also discussed briefly.
In order to continue our studies on the synthesis, properties and coordination of s-tetrazine, 3,6-di- (pyridin-3-yl) -s- tetrazine (II, 3- dptz) was synthesized and characterized by 1H- NMR , MS and IR spectra. And the coordination reaction of 3-dptz with nitrate of Cu (II) was studied. 3-dptz reacting with CuII salt [Cu (NO3) 2 · 2H2O] III was determined by IR spectra and single-crystal X-ray diffraction to give the following crystal data: space group P21 / c, a (pyridin-3- yl) -1,3,4-oxadiazolene = 4.9112 (1) b = 8.4101 (3) c = 29.499 (1) β β = 93.266 (2) o V = 1216.44 (7) nm3 Mr = 287.24 Z = 4 Dc = 1.568 g / cm 3, μ = 0.122 mm-1, F (000) = 592, R = 0.0430 and wR = 0.1240. The results show that III is composed of one cation and one nitrate anion. -di- (pyridin-3-yl) -1,3,4-oxadiazol molecule, with the former being attached to the latter via electrovalent bond with N3 atom. And the O (42) atom in the nitrate anio Intra-and intermolecular H-bonds are observed in the crystal of the title compound. The mechanism of metal-assisted decomposition was also discussed briefly.