| 192987-03-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 192987-03-4
• 化学式: C₂₄H₂₆N₂NiO₄
• 分子量: 465.171
• InChiKey: XIRNUDLQVWUBMM-ZEXLHBTCSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  nickel(II) perchlorate hexahydrate 、 、 二乙烯三胺 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Binickel(II) complex of a new asymmetrical acyclic ligand: the X-ray crystal structure of [Ni2L](ClO4)2 reveals alternating square-planar and octahedral nickel ions

  摘要：

  The binuclear nickel(II) complex of the macrocyclic ligand H2L which contains one =N(CH2)(2)N= and one =N(CH2)(2)NH- moiety has been studied. In the mixed spin-state complex [Ni2L] [ClO4](2) (1), one nickel center is square-planar (low spin), accommodated by the smaller N2O2 cavity provided by the phenolic oxygens and =N(CH2)(2)N= nitrogens; the other nickel center is octahedral (high spin), accommodated by the larger cavity provided by the phenolic oxygens and =N(CH2)(2)NH- nitrogens. Diethylenetriamine takes the skew configuration, which inhibits the full cyclization. This leads to one primary amino nitrogen and one acetyl oxygen on both sides of the octahedral nickel completing the fifth and sixth coordination sites. The Pauling covalent radius of low-spin Ni2+ is ca. 0.20 Angstrom shorter than that of high-spin Ni2+, leading to considerably stronger in-plane ligand-field strength of N2O2 donors at the square nickel(II) relative to that of the octahedral nickel(II). Crystallographic data for (1): space group P-1, triclinic, a=11.573(2) Angstrom, b=15.608(3) Angstrom, c=10.943(2) Angstrom, alpha=104.54(2)degrees, beta=114.97(1)degrees, gamma=82.62(1)degrees, Z=2, R=0.061, R-w=0.079.

  DOI：

  10.1016/s0020-1693(96)05543-0
• 作为产物：
  描述：

  1-[3-[N-[2-[1-(3-acetyl-2-hydroxy-5-methylphenyl)ethylideneamino]ethyl]-C-methylcarbonimidoyl]-2-hydroxy-5-methylphenyl]ethanone 、 nickel(II) acetate tetrahydrate 以 甲醇 为溶剂， 以97%的产率得到
  参考文献：
  名称：

  Binickel(II) complex of a new asymmetrical acyclic ligand: the X-ray crystal structure of [Ni2L](ClO4)2 reveals alternating square-planar and octahedral nickel ions

  摘要：

  The binuclear nickel(II) complex of the macrocyclic ligand H2L which contains one =N(CH2)(2)N= and one =N(CH2)(2)NH- moiety has been studied. In the mixed spin-state complex [Ni2L] [ClO4](2) (1), one nickel center is square-planar (low spin), accommodated by the smaller N2O2 cavity provided by the phenolic oxygens and =N(CH2)(2)N= nitrogens; the other nickel center is octahedral (high spin), accommodated by the larger cavity provided by the phenolic oxygens and =N(CH2)(2)NH- nitrogens. Diethylenetriamine takes the skew configuration, which inhibits the full cyclization. This leads to one primary amino nitrogen and one acetyl oxygen on both sides of the octahedral nickel completing the fifth and sixth coordination sites. The Pauling covalent radius of low-spin Ni2+ is ca. 0.20 Angstrom shorter than that of high-spin Ni2+, leading to considerably stronger in-plane ligand-field strength of N2O2 donors at the square nickel(II) relative to that of the octahedral nickel(II). Crystallographic data for (1): space group P-1, triclinic, a=11.573(2) Angstrom, b=15.608(3) Angstrom, c=10.943(2) Angstrom, alpha=104.54(2)degrees, beta=114.97(1)degrees, gamma=82.62(1)degrees, Z=2, R=0.061, R-w=0.079.

  DOI：

  10.1016/s0020-1693(96)05543-0