The title compound 5-[（1H-1,2,4-triazol-1-yl）methyl]-4-（2,3-dimethoxy-benzylideneamino）- 2H-1,2,4-triazole-3（4H）-thione monohydrate 4 has been synthesized by the treatment of 4-amino-3-（ 1,2,4-triazol- 1-yl）- ...The title compound 5-[（1H-1,2,4-triazol-1-yl）methyl]-4-（2,3-dimethoxy-benzylideneamino）- 2H-1,2,4-triazole-3（4H）-thione monohydrate 4 has been synthesized by the treatment of 4-amino-3-（ 1,2,4-triazol- 1-yl）- 1 H- 1,2,4-triazole-5（4H）-thione 3 with 2,3-dimethoxybenzaldehyde. It crystallizes as a monohydrate in the triclinic system, space group P1^- with a = 8.147（2）, b = 10.820（2）, c = 10.835（2）A, α= 73.770（6）, β = 84.916（7）,γ = 70.679（6）°, C14H17N7O35, Mr = 363.41, V= 865.4（2）A^3, Z= 2, Dc = 1.395 g/cm^3, F（000） = 380, μ = 0.217 mm^-1, the final R = 0.0400 and wR = 0.0975 for 3454 unique reflections. The dihedral angles made by the thione-substituted triazole ring with the other triazole ring and benzene ring are 74.92（3） and 14.81（2）°, respectively. There are some weak hydrogen bonds and C-H..π supramolecular interactions in the lattice, forming a three-dimensional network, which stabilizes the crystal structure.展开更多
文摘The title compound 5-[（1H-1,2,4-triazol-1-yl）methyl]-4-（2,3-dimethoxy-benzylideneamino）- 2H-1,2,4-triazole-3（4H）-thione monohydrate 4 has been synthesized by the treatment of 4-amino-3-（ 1,2,4-triazol- 1-yl）- 1 H- 1,2,4-triazole-5（4H）-thione 3 with 2,3-dimethoxybenzaldehyde. It crystallizes as a monohydrate in the triclinic system, space group P1^- with a = 8.147（2）, b = 10.820（2）, c = 10.835（2）A, α= 73.770（6）, β = 84.916（7）,γ = 70.679（6）°, C14H17N7O35, Mr = 363.41, V= 865.4（2）A^3, Z= 2, Dc = 1.395 g/cm^3, F（000） = 380, μ = 0.217 mm^-1, the final R = 0.0400 and wR = 0.0975 for 3454 unique reflections. The dihedral angles made by the thione-substituted triazole ring with the other triazole ring and benzene ring are 74.92（3） and 14.81（2）°, respectively. There are some weak hydrogen bonds and C-H..π supramolecular interactions in the lattice, forming a three-dimensional network, which stabilizes the crystal structure.
