N',N''-bis[1-(pyridin-2-yl)ethylidene]oxalohydrazide

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N',N''-bis[1-(pyridin-2-yl)ethylidene]oxalohydrazide
• 英文别名: N,N'-bis[(Z)-1-pyridin-2-ylethylideneamino]oxamide
• 化学式: C₁₆H₁₆N₆O₂
• 分子量: 324.342
• InChiKey: SQRWGZCSTOSLSJ-YZLQMOBTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N',N''-bis[1-(pyridin-2-yl)ethylidene]oxalohydrazide 、 三氯化铁 以 乙醇 、 水 为溶剂， 以88%的产率得到[Fe(III)(N',N''-bis[1-(pyridin-2-yl)ethylidene]oxalohydrazide)Cl3]*H2O
  参考文献：
  名称：

  Synthesis, characterization, molecular modeling and antibacterial activity of N1′, N2′-bis[1-(pyridin-2-yl)ethylidene]oxalohydrazide and its metal complexes

  摘要：

  New complexes of N-1',N-2'-bis[1-(pyridin-2-yl)ethylidene]oxalohydrazide (H2L) with Cr3+, Mn2+, Fe3+, Co2+, Ni2+, Cu2+, Cd2+, VO2+ and Ag+ have been prepared and characterized. The ligand has 10-12 buffering range and pK's of 4.62, 7.78 and 9.45. The IR spectra showed the neutral, (mono- or dibasic) bidentate, tridentate or tetradentate of H2L. The molar conductance values, in DMSO, are in the range of nonelectrolytes. An octahedral geometry is proposed for the Cr3+, Mn2+, Fe3+, Ni2+; VO2+ complexes and square-planar for the Co2+ and Cu2+ complexes. The ESR spectra support the mononuclear species for [VO(H2L)SO4-(H2O)(2)]center dot H2O and [Cu(H2L)(OAc)(2)]center dot H2O. The molecular parameters have been calculated to confirm the geometry of the ligand and its complexes. The ligand and some complexes were screened against Bacillus thuringiensis (Bt) as Gram positive and Pseudomonas aeuroginosa (Pa) as Gram negative bacteria using the inhibitory zone diameter. The data showed no effect for the complexes on Pa bacteria growth except [Ag(H2L)(NO3)]H2O which had a high activity. Cu2+, VO2+ and Ag+ complexes exhibit activity against BT; Cu2+ complex is the highest one. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2011.04.043

文献信息

• A novel polymeric Cu(II) assemblage and a monomeric Ni(II) complex from a new easy-to-prepare flexible polytopic ligand: Synthesis, structural and magnetic studies
  作者：Soma Sen、Chirantan Roy Choudhury、Pritha Talukder、Samiran Mitra、Matthias Westerhausen、Alexander Nikolai Kneifel、Cédric Desplanches、Nathalie Daro、Jean-Pascal Sutter

  DOI：10.1016/j.poly.2005.09.008

  日期：2006.4

  The difference in coordination behavior of one new flexible polytopic ligand H2L (L = C16H14N6O2) has been examined with Cu(II) and Ni(II) acetate. It leads to the formation of a polynuclear pentacoordinated Cu(II) assemblage and a mononuclear four coordinated Ni(II) complex. Both the Compounds are characterized spectroscopically and electrochemically. In the complexes I and 2 the ligand binds the metal centers in trans- and cis-orientation (exo and endo-fashion), respectively. The polynuclear copper complex exhibits strong antiferromagnetic behavior at low temperature with J = -327 cm(-1) and DFT calculation is also carried Out for this complex. (c) 2005 Elsevier Ltd. All rights reserved.
• Synthesis, characterization, molecular modeling and antibacterial activity of N1′, N2′-bis[1-(pyridin-2-yl)ethylidene]oxalohydrazide and its metal complexes
  作者：O.A. El-Gammal、R.M. El-Shazly、F.E. El-Morsy、A.A. El-Asmy

  DOI：10.1016/j.molstruc.2011.04.043

  日期：2011.7

  New complexes of N-1',N-2'-bis[1-(pyridin-2-yl)ethylidene]oxalohydrazide (H2L) with Cr3+, Mn2+, Fe3+, Co2+, Ni2+, Cu2+, Cd2+, VO2+ and Ag+ have been prepared and characterized. The ligand has 10-12 buffering range and pK's of 4.62, 7.78 and 9.45. The IR spectra showed the neutral, (mono- or dibasic) bidentate, tridentate or tetradentate of H2L. The molar conductance values, in DMSO, are in the range of nonelectrolytes. An octahedral geometry is proposed for the Cr3+, Mn2+, Fe3+, Ni2+; VO2+ complexes and square-planar for the Co2+ and Cu2+ complexes. The ESR spectra support the mononuclear species for [VO(H2L)SO4-(H2O)(2)]center dot H2O and [Cu(H2L)(OAc)(2)]center dot H2O. The molecular parameters have been calculated to confirm the geometry of the ligand and its complexes. The ligand and some complexes were screened against Bacillus thuringiensis (Bt) as Gram positive and Pseudomonas aeuroginosa (Pa) as Gram negative bacteria using the inhibitory zone diameter. The data showed no effect for the complexes on Pa bacteria growth except [Ag(H2L)(NO3)]H2O which had a high activity. Cu2+, VO2+ and Ag+ complexes exhibit activity against BT; Cu2+ complex is the highest one. (C) 2011 Elsevier B.V. All rights reserved.