Synthesis and crystal structure of 5-[(1H-1,2,4-triazol-1-yl)methyl]-4-(2,3-dimethoxybenzylideneamino)-2-2H-1,2,4-triazole-3(4H)-thione monohydrate

The title compound 5-[(1H-1,2,4-triazol-l-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-l-yl)-1H-1,2,4-triazole-5(4H)-thione 3 with 2,3-dimethoxybenzaldehyde. It crystallizes as a monohydrate in the triclinic system, space group P (1) over bar with a = 8.147(2), b = 10.820(2),c = 10.835(2) angstrom, a = 73.770(6), beta = 84.916(7), gamma = 70.679(6)degrees, C14H17N7O3S, M-r = 363.41, V = 865.4(2) angstrom(3), Z = 2, D-c = 1.395 g/cm(3), F(000) = 380, mu = 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)degrees, respectively. There are some weak hydrogen bonds and C-H center dot center dot center dot pi supramolecular interactions in the lattice, forming a three-dimensional network, which stabilizes the crystal structure.