copper(II) 2-fluorobenzoate | 446-25-3

• 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: copper(II) 2-fluorobenzoate
• 英文别名: Cu(2-fluorobenzoate)2；copper (II)-(2-fluoro benzoate)；Kupfer(II)-(2-fluor-benzoat)；Kupfer(II)-o-fluorobenzoat；copper;2-fluorobenzoate
• CAS: 446-25-3；50671-56-2
• 化学式: 2C₇H₄FO₂*Cu
• 分子量: 341.758
• InChiKey: HEFYMJANCWMVRX-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.19
• 重原子数：
  11.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  40.13
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  安替比林 、 copper(II) 2-fluorobenzoate 在 2-fluorobenzoic acid 作用下， 以 甲醇 为溶剂， 生成 Cu(2-fluorobenzoate)2(1-phenyl-2,3-dimethyl-5-pyrazolone)
  参考文献：
  名称：

  2-卤代苯甲酸铜 (II) 与 1-苯基-2,3-二甲基-5-吡唑啉酮和 1,4-二恶烷的光谱和磁性表征

  摘要：

  摘要 我们描述了化合物 Cu(2-XC 6 H 4 COO) 2 L（X = F、Cl 或 Br；L = 1-苯基-2,3-二甲基-5-吡唑啉酮或 1,4-二恶烷）的制备)，并将它们的光谱和磁性能与双核乙酸铜 (II) 一水合物的光谱和磁性能进行比较。现有证据支持双核结构。粉末固体的 EPR 谱与 S = 1 的自旋一致。三重态和单重态之间的能量分离值 (-2 J ) 表明二恶烷加合物的反铁磁相互作用比 1 -苯基-2,3-二甲基-5-吡唑啉酮加合物。

  DOI：

  10.1016/0022-2860(79)80238-0

文献信息

• Directed supramolecular assembly of Cu(<scp>ii</scp>)-based “paddlewheels” into infinite 1-D chains using structurally bifunctional ligands
  作者：Christer B. Aakeröy、Nate Schultheiss、John Desper

  DOI：10.1039/b513765a

  日期：——

  The construction of Cu(II)-containing supramolecular chains is achieved by combining suitable anionic ligands (for controlling the coordination geometry and for creating a neutral building block) with four new bifunctional ligands containing a metal-coordinating pyridyl site and a self-complementary hydrogen-bonding moiety. Seven crystal structures are presented and in each case, the copper(II) complex displays a “paddlewheel” arrangement, with four carboxylate ligands occupying the equatorial sites, leaving room for the bifunctional ligand to coordinate in the axial positions. The supramolecular chemistry, which organizes the coordination-complexes into the desired infinite 1-D chains, is driven by a combination of N–H⋯N and N–H⋯O hydrogen-bonds in five of the seven structures.

  通过将合适的阴离子配体（用于控制配位几何和创建中性构件）与四种新的双功能配体（包含一个金属配位吡啶基位点和一个自互补氢键分子）相结合，可以构建含铜（II）的超分子链。本文展示了七种晶体结构，每种情况下，铜（II）配合物都呈现 "桨轮 "排列，四个羧酸配体占据赤道位点，为双功能配体在轴向位点配位留出了空间。在七种结构中的五种结构中，NâHâ¯N 和 NâHâ¯O 氢键的组合推动了超分子化学反应，这种化学反应将配位复合物组织成所需的无限一维链。
• Establishing Amide···Amide Reliability and Synthon Transferability in the Supramolecular Assembly of Metal-Containing One-Dimensional Architectures
  作者：Christer B. Aakeröy、Benjamin M. T. Scott、Michelle M. Smith、Joaquin F. Urbina、John Desper

  DOI：10.1021/ic801992t

  日期：2009.5.4

  On the basis of a combination of new structural data (eleven single-crystal structure determinations are presented) and information from the Cambridge Structural Database, it has been shown that self-complementary hydrogen-bond based amide center dot center dot center dot amide dimers can be relied upon as effective supramolecular synthons for the assembly and organization of acac- and paddle-wheel complexes of a variety of metal(II) ions. The targeted molecular recognition event and intended extended one-dimensional motif appear with a supramolecular yield of 78% (a total of 28 structures were examined). Despite the fact that the hydrogen bonds that give rise to the R-2(2)(8) motif can be disrupted by both carboxylate- and acac-ligands, as well as by solvent molecules, they remain remarkably resilient and therefore represent useful synthetic tools in inorganic crystal engineering.
• Spectral and magnetic characterisation of copper(II) 2-halogenobenzoates with 1-phenyl-2,3-dimethyl-5-pyrazolone and 1,4-dioxane
  作者：Milan Melnik、Jerzy Mroziński

  DOI：10.1016/0022-2860(79)80238-0

  日期：1979.1

  Abstract We describe the preparation of the compounds Cu(2-XC 6 H 4 COO) 2 L (X = F, Cl or Br; L = 1-phenyl-2,3-dimethyl-5-pyrazolone or 1,4-dioxane), and compare their spectral and magnetic behaviour with those of binuclear copper(II) acetate monohydrate. The available evidence supports a binuclear structure. The EPR spectra of the powdered solids is consistent with a spin of S = 1. The values of

  摘要 我们描述了化合物 Cu(2-XC 6 H 4 COO) 2 L（X = F、Cl 或 Br；L = 1-苯基-2,3-二甲基-5-吡唑啉酮或 1,4-二恶烷）的制备)，并将它们的光谱和磁性能与双核乙酸铜 (II) 一水合物的光谱和磁性能进行比较。现有证据支持双核结构。粉末固体的 EPR 谱与 S = 1 的自旋一致。三重态和单重态之间的能量分离值 (-2 J ) 表明二恶烷加合物的反铁磁相互作用比 1 -苯基-2,3-二甲基-5-吡唑啉酮加合物。