[NiII(1,3-propanediylbis(2-iminomethylene-6-methoxyphenolato))(H2O)2] | 302956-70-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: [NiII(1,3-propanediylbis(2-iminomethylene-6-methoxyphenolato))(H2O)2]
• 英文别名: diaqua(6,6'-dimethoxy-2,2'-[propane-1,3-diylbis(nitrilomethylidyne-N)]diphenolato-O,O')nickel(II)；diaqua[N,N'-bis(3-methoxysalicylidene)-1,3-diaminopropane(2-)]nickel(II)；[Ni(1,3-propanediylbis(2-iminomethylene-6-methoxyphenolato)(H2O)2]；[Ni(o-vanillin-2H)(H2O)2]
• CAS: 302956-70-3
• 化学式: C₁₉H₂₄N₂NiO₆
• 分子量: 435.099
• InChiKey: MHHTUWQZMFPYEJ-LSLBEZLLSA-L

计算性质

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

反应信息

• 作为反应物：
  描述：

  乙腈 、 samarium(III) nitrate hexahydrate 、 [NiII(1,3-propanediylbis(2-iminomethylene-6-methoxyphenolato))(H2O)2] 以 乙腈 为溶剂， 生成 [Ni(CH3CN)2(o-vanillin-2H)Sm(NO3)3]*CH3CN*2H2O
  参考文献：
  名称：

  Preparation, Crystal Structures, and Magnetic Features for a Series of Dinuclear [Ni^IILn^III] Schiff-Base Complexes: Evidence for Slow Relaxation of the Magnetization for the Dy^III Derivative

  摘要：

  A series of dinuclear [Ni(II)Ln(III)] Schiff-base complexes (using a Schiff-base dicompartmental ligand derived from o-vanillin [H(2)valpn = 1,3-propanediylbis(2-iminomethylene-6-methoxy-phenol)]) with Ln = La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, and a hydroxo-bridged tetranuclear [(NiYbIII)-Yb-II] are reported. The crystal structures have been solved for 10 dinuclear complexes revealing four arrangements for the dinuclear units, which are modulated by the coordinated solvent molecules and the nitrato-anion interactions. The magnetic behaviors have been investigated, and the nature of the Ni-II-Ln(III) exchange interaction has been emphasized by comparison with the behavior of the related [Zn(II)Ln(III)] derivatives. This allowed for establishing that the interaction within these compounds is antiferromagnetic with the 41 ions of the beginning of the Ln series and turns ferromagnetic from Gd-III toward the end of the series. AC susceptibility investigations clearly show the occurrence of slow relaxation processes of the magnetization close to 2 K for the dinuclear [(NiDyIII)-Dy-II] complex.

  DOI：

  10.1021/ic2004276
• 作为产物：
  描述：

  N,N'-bis(3-methoxysalicylidene)-1,3-propanediamine 、 nickel(II) acetate tetrahydrate 以 甲醇 、 水 为溶剂， 生成 [NiII(1,3-propanediylbis(2-iminomethylene-6-methoxyphenolato))(H2O)2]
  参考文献：
  名称：

  The Crystal Structures of [N,N’-Bis(3-methoxysalicylidene)-1,3- diaminopropane]nickel(II) and -copper(II)

  摘要：

  [N,N′’-双(3-甲氧基水杨醛亚胺)-1,3-二氨基丙烷]二水合物镍(II) [Ni(C₁₉H₂₀N₂O₄)· 2(H₂O)] 1 和[N,N′-双(3-甲氧基水杨醛亚胺)-1,4-二氨基丁烷]铜(II) [Cu(C₂₀H₂₂N₂O₄)] 2 已合成并确定了它们的晶体结构。化合物1的晶体为正交晶系，空间群Pnma，a = 7.509(3) Å，b = 22.070(7) Å，c = 11.532(4) Å，V = 1611.1(12) ų，Z = 4，D_c = 1.498 g·cm⁻³。分子1具有镜像对称性，但配体不是平面的。Schiff碱基的两部分折叠形成21.6(1)°的角度。镍原子处于扭曲的八面体几何构型，并由水平面的配体供体原子和两个水分子配位。化合物2的晶体为单斜晶系，空间群P2₁/c，a = 9.488(1) Å，b = 21.918(3) Å，c = 8.413(1) Å，β = 91.45(1)°，V = 1749.0(4) ų，Z = 4，D_c = 1.587 g·cm⁻³。铜原子由偏平面几何构型中的亚胺-酚配体的N₂O₂供体集合配位，两个酚氧原子被去质子化。Cu-O 键长为1.854(3) Å和1.868(3) Å。Cu-N 键长为1.931(3) Å和1.950(3) Å，两个3-甲氧基水杨醛亚胺基团之间的二面角为43.4(1)°。

  DOI：

  10.1515/znb-2004-0216

文献信息

• Diaqua{6,6′-dimethoxy-2,2′-[propane-1,3-diylbis(nitrilomethylidyne-<i>N</i>)]diphenolato-<i>O</i>,<i>O</i>′}nickel(II)
  作者：Ligia Gomes、Carla Sousa、Cristina Freire、Baltazar de Castro

  DOI：10.1107/s010827010001009x

  日期：2000.10.15

  In the title compound, [Ni(C19H20N2O4)(H2O)(2)], the Ni atom has a distorted octahedral coordination geometry in which the tetradentate Schiff base ligand acts as a cis-N2O2 donor defining an equatorial plane, and water molecules occupy the axial positions. The two parts of the molecule are related by a mirror plane that passes through the Ni atom and is perpendicular to the equatorial plane. The angular distortions from normal octahedral geometry are in the range 1-6 degrees, and the equatorial plane, defined by the donor atoms of the Schiff base, is almost square planar. The six-membered ring comprising the Ni, the imine N and the propylene C atoms adopts a half-chair conformation. The Ni-O [2.017 (2) Angstrom] and Ni-N [2.071 (2) Angstrom] distances are within the ranges expected for high-spin octahedral nickel complexes.