Synthesis and crystal structure of 4-salicylideneamino-3-methyl-1,2,4-triazol-5-thione

The crystal structure of 4-salicylideneamino-3-methyl-1,2,4-triazol-5-thione 1 (C10H10N4OS, M-r = 234.28) has been determined by single-crystal X-ray diffraction method. The crystal belongs to monoclinic, space group P2(1)/n with a = 12.697(3), b = 7.4072(15), c = 12.750(3) Angstrom, beta = 117.68(3)degrees, V = 1061.85(4) Angstrom(3), Z = 4, D-c = 1.465 g/cm(3), mu = 0.288 mm(-1) and F(000) = 488. R = 0.0584 and wR = 0.1642 for 2660 unique reflections with 2130 observed ones (I > 2sigma(I)). The results confirmed that the configuration of the title compound at the azomethine C=N bond is E and I can be assigned as the thione tautomeric form. All atoms of the title compound are essentially coplanar.