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The crystal structure of 5-nitro-4-salicylideneamino-3-methyl-1,2,4-triazole-5-thione ([C 10 H 9N 5O 3S]·HCON(CH 3) 2, M r=352.38)(CCDC No. 216094) was determined by the single crystal X-ray diffraction method. The crystal belongs to a triclinic system, the space group is P1 with unit cell constants a= 0.6113(2) nm, b=1.0836(4) nm, c=1.3132(5) nm, α=74.523(7)°, β=117.68(3)°, γ= 79.769(7)°, V=0.8245(5) nm 3, Z=2, D c=1.419 g/cm 3, μ=0.228 mm -1 , F(000)=368, R and wR are 0.0579 and 0.1040, respectively, beasd on 3348 unique reflections of which 1925 reflections were observed[I>2σ(I)]. The results indicate that the title compound can be assigned to the thione tautomeric form rather than the thiol tautomeric form. It contains a five membered triazole ring and a phenyl ring with a dihedral angle of 4.35°. The intermolecular hydrogen bond N3_H3…S1, O1_H1…O4 can be observed.
The crystal structure of 5-nitro-4-salicylideneamino-3-methyl-1,2,4-triazole-5- thione ([C 10 H 9N 5O 3 S] · HCON (CH 3) 2, M r = 352.38) CCDC No. 216094 was determined by the single crystal X-ray diffraction method. The crystal belongs to a triclinic system, the space group is P1 with unit cell constants a = 0.6113 (2) nm, b = 1.0836 α = 74.523 (7) °, β = 117.68 (3) °, γ = 79.769 (7) °, V = 0.8245 (5) nm 3, Z = 2 and D c = 1.419 g / cm 3, μ = 0.228 mm -1, F (000) = 368, R and wR are 0.0579 and 0.1040, respectively, beasd on 3348 unique reflections of which 1925 reflections were observed [I> 2σ (I)]. indicate that the title compound can be assigned to the thione tautomeric form rather than the thiol tautomeric form. It contains a five membered triazole ring and a phenyl ring with a dihedral angle of 4.35 °. The intermolecular hydrogen bond N3_H3 ... S1, O1_H1 ... O4 can be observed.