[Zn2(3-(pyridine-4-yl)-5-(2-aminophenyl)-1H-1,2,4-triazole(-2H))2] | 1275591-92-8

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: [Zn2(3-(pyridine-4-yl)-5-(2-aminophenyl)-1H-1,2,4-triazole(-2H))2]
• CAS: 1275591-92-8
• 化学式: C₂₀H₁₃N₅O*Zn
• 分子量: 404.746
• InChiKey: BHEZPUMDNIZVMF-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.98
• 重原子数：
  27.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  88.19
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  [Zn2(3-(pyridine-4-yl)-5-(2-aminophenyl)-1H-1,2,4-triazole(-2H))2]*EtOH 以 neat (no solvent) 为溶剂， 生成 [Zn2(3-(pyridine-4-yl)-5-(2-aminophenyl)-1H-1,2,4-triazole(-2H))2]
  参考文献：
  名称：

  Zinc complexes with 3-Pyridinyl-5-(2-salicylideneiminophenyl)-1H-1,2,4-triazoles

  摘要：

  New coordination compounds of zinc with 3-(pyridine-2-yl)-5-(2-salicylideneiminophenyl)-1H-1,2,4-triazole (H(2)L(1)) and 3-(pyridine-4-yl)-5-(2-salicylideneiminophenyl)-1H-1,2,4-triazole (H(2)L(2)) are obtained. According to X-ray diffraction data, binuclear zinc complexes with L(1), namely, [Zn(2)L (2) (1) ]. 0.5EtOH and [Zn(2)L (2) (1) ] center dot 2C(4)H(8)O(2) center dot 2H(2)O obtained in different solvents, are structurally related molecular complexes. The product of the reaction with H(2)L(2) is the {[ZnL(2)(Py)] center dot CHCl(3)} (n) coordination polymer. The 1,2,4-triazoles under study and the complexes on their basis luminesce in solutions with emission maxima ranging from 412 to 503 nm. These coordination compounds in the solid state emit in the green range of the spectrum (lambda(max) = 496 and 485 nm).

  DOI：

  10.1134/s0036023611010116