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 ^1HNMR, MS and IR spectra. And the...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 ^1HNMR, 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)(A), β = 93.266(2)°, V = 1216.44(7) nm^3, 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. 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.展开更多
基金This work was financially supported by Young Science Fund of Zhejiang Sci-Tech University
文摘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 ^1HNMR, 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)(A), β = 93.266(2)°, V = 1216.44(7) nm^3, 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. 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.