N'1,N'4-bis(1-(2-hydroxy-5-methylphenyl)ethylidene)terephthalohydrazide | 1335114-63-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N'1,N'4-bis(1-(2-hydroxy-5-methylphenyl)ethylidene)terephthalohydrazide
• CAS: 1335114-63-0
• 化学式: C₂₆H₂₆N₄O₄
• 分子量: 458.517
• InChiKey: IUJAKJDFLUAFOJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.02
• 重原子数：
  34.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  123.38
• 氢给体数：
  4.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  吡啶 、 N'1,N'4-bis(1-(2-hydroxy-5-methylphenyl)ethylidene)terephthalohydrazide 、 水 、 copper diacetate 以 吡啶 为溶剂， 生成 [(C6H4-1,4-(C(O)NNC(Me)C6H3(Me)O)2)Cu2(pyridine)3(H2O)]
  参考文献：
  名称：

  Structure and EPR spectra of binuclear copper(II) complexes with acyldihydrazones of benzenedicarboxylic acids and 5-substituted 2-hydroxyacetophenones

  摘要：

  Binuclear copper(II) complexes with acyldihydrazones of 1,3- or 1,4 benzenedicarboxylic acid and 5-methyl- or 5-bromo-2-hydroxyacetophenone in which coordination polyhedra are connected by an aromatic bridge have been synthesized and studied. The structure of the copper(II) complex with diacylhydrazone of isophthalic acid and 2-hydroxy-5-methylacetophenone (H4L) of composition [Cu2L center dot 3Py] was studied by X-ray diffraction. The crystals are monoclinic: a = 12.1996(12) , b = 17.7295(17) , c = 17.9339(17) , beta = 109.7450(10)A degrees, space group P2(1)/n, Z = 4. The complex is of the "dimer of dimers" type and contains two binuclear subunits that bind together into a centrosymmetric dimer owing to the coordination of the copper cation to the phenoxyl oxygen atom of a neighboring binuclear molecule to form the Cu2O2 moiety, in which the copper atoms are 3.409 apart. The distance between the copper(II) cations in the binuclear subunit is 8.56 atoms (2N + O) of the doubly deprotonated acylhydrazone moiety and the nitrogen atom of the pyridine molecule. One of the copper cation is additionally coordinated to an extra pyridine molecule so that its coordination sphere is completed to a tetragonal pyramid. The second copper atom is involved in additional interaction with the phenoxyl oxygen atom of the neighboring molecule. The EPR spectra of solutions of the binuclear complexes show an isotropic signal of four HFS lines (g (o) = 2.065-2.143, a (Cu) = 52.1-66.5 x 10(-4) cm(-1)) typical of mononuclear copper(II) complexes.

  DOI：

  10.1134/s0036023610050165