Crystal Structure of 5-Methyl-4-[(4-methylbenzylidene)amino]-2,4-dihydro[1,2,4]triazole-3-thione

Abstract

The crystal structure of 5-methyl-4-[(4-methylbenzylidene)amino]-2,4-dihydro[1,2,4]triazole-3-thione was determined to be monoclinic, with space group P2₁/n, with lattice parameters a = 7.3386(3)Å, b = 11.3860(1)Å, c = 14.3379(10)Å, β = 91.670(1)°, V = 1197.53(10)ų, Z = 4, and D_calc = 1.288 Mg/m³. The two ring systems in the molecule are almost coplanar. The molecular packing is stabilized by a N-H…S type hydrogen bonding interaction. This interaction forms a centrosymmetric dimer in the crystal.