4-[(E)-(4-羟基苄叉基)氨基]-3-甲基-1H-1,2,4-三唑-5(4H)-硫酮
4-[(E)-(4-Hy-droxy-benzyl-idene)amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione.
作者信息
Sarojini Balladka K, Manjula Padmanabha S, Narayana B, Jasinski Jerry P
机构信息
Department of Studies in Chemistry, Industrial Chemistry Division, Mangalore University, Mangalagangotri 574 199, D.K., Mangalore, India ; Department of Chemistry, P. A. College of Engineering, Nadupadavu 574 153, D.K., Mangalore, India.
Department of Chemistry, P. A. College of Engineering, Nadupadavu 574 153, D.K., Mangalore, India.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2014 May 31;70(Pt 6):o733-4. doi: 10.1107/S1600536814012215. eCollection 2014 Jun 1.
The title compound, C10H10N4OS, is nearly planar with the mean planes of the hy-droxy-benzyl and triazole rings inclined at an angle of only 3.2 (7)°. In the crystal, O-H⋯N hydrogen bonds between the hy-droxy group and the triazole ring in concert with weak N-H⋯S inter-molecular inter-actions between the triazole ring and thione group form chains along [-210] enclosing R 2 (2)(8) graph-set motifs. A weak intra-molecular C-H⋯S inter-action and inter-molecular π-π inter-actions [centroid-centroid distance = 3.5990 (15) Å] are also observed.
标题化合物C₁₀H₁₀N₄OS几乎呈平面结构，羟基苄基环和三唑环的平均平面夹角仅为3.2 (7)°。在晶体中，羟基与三唑环之间的O—H⋯N氢键，以及三唑环与硫酮基团之间较弱的N—H⋯S分子间相互作用，沿着[-210]形成链状结构，包围着R 2 (2)(8) 图形集模式。还观察到一个弱的分子内C—H⋯S相互作用和分子间π-π相互作用（质心-质心距离 = 3.5990 (15) Å）。
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