(E)-N(-)-(1-(pyridine-4-yl)ethylidine)nicotinohydrazide | 109353-78-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: (E)-N(-)-(1-(pyridine-4-yl)ethylidine)nicotinohydrazide
• 英文别名: 4-Acetylpyridine nicotinoylhydrazone；N-(1-pyridin-4-ylethylideneamino)pyridine-3-carboxamide
• CAS: 109353-78-8
• 化学式: C₁₃H₁₂N₄O
• mdl: MFCD01342330
• 分子量: 240.264
• InChiKey: LGBILRGITBBGKO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  67.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  copper(II) choride dihydrate 、 (E)-N(-)-(1-(pyridine-4-yl)ethylidine)nicotinohydrazide 以 乙醇 为溶剂， 生成 [Cu((E)-N(-)-(1-(pyridine-4-yl)ethylidine)nicotinohydrazide)(H2O)(OH)]Cl*2H2O
  参考文献：
  名称：

  Cu(II) and Zr(IV) Complexes with (E)−N ⁻-(1-(Pyridine-4-YL)Ethylidine)Nicotinohydrazide

  摘要：

  Two complexes derived from the reaction of Cu(II) and Zr(IV) with (E)-N--(1-(pyridine-4-yl) ethylidine) nicotinohydrazide have been synthesized and characterized using elemental analyses, spectral analyses (IR, UV-vis, H-1-NMR), thermal analyses (TGA), magnetic and conductance measurements. The results showed that the ligand acts as a neutral bidentate coordinating to the metal ions through carbonyl oxygen and azomethine nitrogen. Semi-empirical AM1, PM3, ZINDO/1 and ZINDO/S calculations have been used to study the molecular geometry, the electronic, and the vibrational spectra with the purpose to assist the experimental assignment of the complexes. The optical absorption studies reveal that the optical transition is direct with band gap energy (E-g) value 1.34 ev.

  DOI：

  10.1080/15533174.2010.492550

文献信息

• Cu(II) and Zr(IV) Complexes with (<i>E</i>)−<i>N</i> ⁻-(1-(Pyridine-4-YL)Ethylidine)Nicotinohydrazide
  作者：Nasser Mohammed Hosny

  DOI：10.1080/15533174.2010.492550

  日期：2010.7.19

  Two complexes derived from the reaction of Cu(II) and Zr(IV) with (E)-N--(1-(pyridine-4-yl) ethylidine) nicotinohydrazide have been synthesized and characterized using elemental analyses, spectral analyses (IR, UV-vis, H-1-NMR), thermal analyses (TGA), magnetic and conductance measurements. The results showed that the ligand acts as a neutral bidentate coordinating to the metal ions through carbonyl oxygen and azomethine nitrogen. Semi-empirical AM1, PM3, ZINDO/1 and ZINDO/S calculations have been used to study the molecular geometry, the electronic, and the vibrational spectra with the purpose to assist the experimental assignment of the complexes. The optical absorption studies reveal that the optical transition is direct with band gap energy (E-g) value 1.34 ev.