4-[(E)-(4-Hydroxybenzylidene)amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione

Abstract

Key indicators: single-crystal X-ray study; T = 173 K; mean (C-C) = 0.004 Å; R factor = 0.054; wR factor = 0.151; data-to-parameter ratio = 13.5.The title compound, C 10 H 10 N 4 OS, is nearly planar with the mean planes of the hydroxybenzyl and triazole rings inclined at an angle of only 3.2 (7) . In the crystal, O-HÁ Á ÁN hydrogen bonds between the hydroxy group and the triazole ring in concert with weak N-HÁ Á ÁS intermolecular interactions between the triazole ring and thione group form chains along

Insight into the reactive properties of newly synthesized 1,2,4-triazole derivative by combined experimental (FT-IR and FR-Raman) and theoretical (DFT and MD) study

“…The title compound, 4-[(E)-(4-hydroxybenzylidene)amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione was synthesized as reported in literature [29]. 4-Amino-5-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione (0.01 mol, 1.3g) was added to a suspension of 4-hydroxy benzaldehyde (1.22g, 0.01 mol) in ethanol (15 ml), and heated to get a clear solution and then a few drops of conc.…”

The crystal structures of three 3-methyl-1H-1,2,4-triazole-5-thiones, including a second polymorph of 4-[(E)-(5-bromo-2-hydroxybenzylidene)amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione and a redetermination of 4-amino-3-methyl-1H-1,2,4-triazole-5(4H)-thione

“…The atoms marked with an asterisk are at the symmetry position (1 À x, 1 À y, 1 À z). (Sarojini, Manjula, Narayana et al, 2014), motifs of this type form part of a ribbon containing alternating edge-fused R 2 2 (8) and R 4 4 (28) rings running parallel to the [210] direction and in which both ring types are centrosymmetric. Finally, compound (VIII), which differs from (IV) in containing an ethyl substituent rather than a methyl substituent, but which crystallizes with Z 0 = 1 in P2 1 /c.…”

Crystal structure of 4-[(E)-(4-chlorobenzylidene)amino]-3-(2-methylbenzyl)-1H-1,2,4-triazole-5(4H)-thione

“…For the biological activity of sulfur-and nitrogencontaining compounds, see: Malik et al (2011); Wei & Bell (1982). For related structures, see: Ding et al (2009); Vinduvahini et al (2011); Almutairi et al (2012); Sarojini et al (2013Sarojini et al ( , 2014a. For standard bond-lengths, see: Allen et al (1987).…”

“…-triazole-5(4H)-thione; 4-[(E)-(4-Hy¬droxy¬benzyl¬idene)amino] -3methyl-1H-1,2,4-triazole-5(4H)-thione(Sarojini et al, 2013(Sarojini et al, , 2014a; 3-[2-(2,6-Dichloro-anilino)benzyl]-4-[(4-methoxybenzylidene)amino]-1H-1,2,4-triazole-5(4H) -thione(Vinduvahini et al, 2011); 3-(Adamantan-1-yl)-1-[(4-ethylpiperazin-1-yl)methyl]-4-[(E)-(4-hydroxy-benzylidene)amino]-1H-1,2,4-triazole-5(4H) -thione(Almutairi et al, 2012);…”