N,N'-bis(3,5-dichlorosalicylidene)-1,3-pentanediamine | 1613416-16-2

• 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,N'-bis(3,5-dichlorosalicylidene)-1,3-pentanediamine
• CAS: 1613416-16-2
• 化学式: C₁₉H₁₈Cl₄N₂O₂
• 分子量: 448.176
• InChiKey: KDLGNFNFYYDJFT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.42
• 重原子数：
  27.0
• 可旋转键数：
  7.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  65.18
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  N,N'-bis(3,5-dichlorosalicylidene)-1,3-pentanediamine 、 nickel(II) acetate tetrahydrate 以 甲醇 为溶剂， 反应 0.5h， 以63%的产率得到[Ni(N,N'-bis(3,5-dichlorosalicylidene)-1,3-pentanediamine-H₂)]
  参考文献：
  名称：

  Synthesis, Characterization, and Crystal Structures of Nickel Complexes Derived from N,N′-Bis(3,5-dichlorosalicylidene)-1,3-pentanediamine and N,N′-Bis(3-methylsalicylidene)-1,2-ethanediamine

  摘要：

  Two new mononuclear Schiff base nickel(II) complexes, [Ni(ClSal)] (1) and [Ni(MeSal)] (2) (H(2)ClSal = N,N '-bis(3,5-dichlorosalicylidene)-1,3-pentanediamine; H(2)MeSal = N,N '-bis(3-methylsalicylidene)-1,2-ethanediamine), have been synthesized and characterized by elemental analyses, infrared spectra, and single-crystal X-ray diffraction. Complex 1 crystallizes in the orthorhombic space group P2(1)2(1)2(1), with unit cell dimensions a = 9.788(1) angstrom, b = 10.206(1) angstrom, c = 20.458(2) angstrom, V = 2043.7(4) angstrom(3), Z = 4, R (1) = 0.0814, and wR (2) = 0.1689. Complex 2 crystallizes in the monoclinic space group P2(1)/n, with unit cell dimensions a = 11.6353(5) angstrom, b = 11.8807(6) angstrom, c = 12.8241(6) angstrom, beta = 115.213(1)degrees, V = 1603.9(1) angstrom(3), Z = 4, R (1) = 0.0243, and wR (2) = 0.0675. The Ni atoms in the complexes are four-coordinated in square planar geometry by the N2O2 donor set of the ligands.

  DOI：

  10.1080/15533174.2013.791850
• 作为产物：
  描述：

  1,3-二氨基戊烷 、 3,5-二氯水杨醛 以 乙醇 为溶剂， 反应 0.5h， 以87%的产率得到N,N'-bis(3,5-dichlorosalicylidene)-1,3-pentanediamine
  参考文献：
  名称：

  Synthesis, Characterization, and Crystal Structures of Nickel Complexes Derived from N,N′-Bis(3,5-dichlorosalicylidene)-1,3-pentanediamine and N,N′-Bis(3-methylsalicylidene)-1,2-ethanediamine

  摘要：

  Two new mononuclear Schiff base nickel(II) complexes, [Ni(ClSal)] (1) and [Ni(MeSal)] (2) (H(2)ClSal = N,N '-bis(3,5-dichlorosalicylidene)-1,3-pentanediamine; H(2)MeSal = N,N '-bis(3-methylsalicylidene)-1,2-ethanediamine), have been synthesized and characterized by elemental analyses, infrared spectra, and single-crystal X-ray diffraction. Complex 1 crystallizes in the orthorhombic space group P2(1)2(1)2(1), with unit cell dimensions a = 9.788(1) angstrom, b = 10.206(1) angstrom, c = 20.458(2) angstrom, V = 2043.7(4) angstrom(3), Z = 4, R (1) = 0.0814, and wR (2) = 0.1689. Complex 2 crystallizes in the monoclinic space group P2(1)/n, with unit cell dimensions a = 11.6353(5) angstrom, b = 11.8807(6) angstrom, c = 12.8241(6) angstrom, beta = 115.213(1)degrees, V = 1603.9(1) angstrom(3), Z = 4, R (1) = 0.0243, and wR (2) = 0.0675. The Ni atoms in the complexes are four-coordinated in square planar geometry by the N2O2 donor set of the ligands.

  DOI：

  10.1080/15533174.2013.791850