Cu(pyridine-2-carboxylate)Cl | 158759-97-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: Cu(pyridine-2-carboxylate)Cl
• CAS: 158759-97-8
• 化学式: C₆H₄NO₂*Cl*Cu
• 分子量: 221.102
• InChiKey: CXSSJPBSPSLTAN-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -3.55
• 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：
  53.02
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  copper(II) choride dihydrate 、 2-甲基磷酸二乙酯吡啶 以 甲醇 、 乙醇 为溶剂， 生成 copper(II)(PIC)(1+) 、 Cu(pyridine-2-carboxylate)Cl
  参考文献：
  名称：

  Synthesis, spectroscopic and magnetostructural evidence for the formation of Cu(II) complexes of pyridyl-2-carboxylate (2-pca) and quinolyl-2-carboxylate (2-qca) as a result of a novel oxidative P-dealkylation reaction of diethyl 2-pyridylmethylphosphonate (2-pmpe) and diethyl 2-quinolylmethylphosphonate (2-qmpe) ligands

  摘要：

  The interaction of diethyl 2-pyridylmethylphosphonate (2-pmpe) ligand with CuX2 salts unexpectedly leads to the formation of compounds of the formula Cu(2-pca)(2) [X = Cl- (1), CH3COO- (3)], and Cu(2-pca)Cl [X = Cl- (2)] (2-pca = pyridine-2-carboxylate ion). The diethyl 2-quinolylmethylphosphonate ligand (2-qmpe) reacts with CuX2 salts to similarly yield compounds of stoichiometry Cu(2-qca)(2) (.) H2O (X = ClO4- (4)), and for X = Cl Cu(2-qca)(2) (.) H2O (5) and Cu(2-qca)Cl (6), (2-qca = quinoline-2-carboxylate ion). These compounds are products of a novel oxidative P-dealkylation reaction, which takes place on 2-pmpe and 2-qmpe ligands under the used conditions. The compounds were characterized by infrared, ligand field, EPR spectroscopy and magnetic studies. Cu(2-pca)(2) exists in two crystalline forms, a blue form (1) and a violet form (3). For 3 the single-crystal structure was determined. The copper atom is four-coordinated in a square-planar geometry. The stack between related (and hence parallel) pea moieties involves interatomic distances of 3.27 Angstrom. Cu(2-qca)(2) (.) H2O also exists in two forms, a green (4) and a blue-green (5). Both these complexes are five coordinated, involve the same CuN2O3 chromophore and are examples of the distortion isomers. Variable-temperature magnetic susceptibility measurements (1.9-300 K) have shown that the anti ferromagnetic coupling observed is much stronger in 6 than in 1, 3, 4 and 5. For 2 a ferromagnetic, exchange occurs. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2003.06.017

文献信息

• Structure and magnetic properties of a double out-of-plane carboxylato-bridged Cu(II) compound with pyridine-2-carboxylate
  作者：Bogumila Żurowska、Jerzy Mroziński、Katarzyna Ślepokura

  DOI：10.1016/j.poly.2007.03.024

  日期：2007.8

  (2.737(4) Å). The crystal structure of the compound is stabilized by interchain hydrogen bonds of the C–H⋯O type. The intrachain copper–copper separation is 5.178(3) Å, whereas the shortest interchain copper–copper distance is 7.614(6) Å. The magnetic properties, investigated in the temperature range 1.8–300 K, revealed the occurrence of a weak intrachain antiferromagnetic coupling, J = −1.04 cm−1,

  深蓝色[Cu（2-pca）2 ] n（1的光谱和磁学性质以及晶体结构），（2-pca ＝吡啶-2-羧酸根离子）被描述。铜（II）离子处于严重四边形扭曲的八面体环境中。它们依次通过平面外的双羧酸盐桥桥接，从而形成无限链（1D）。赤道Cu–O键（1.957（3）Å）明显短于轴向键（2.737（4）Å）。该化合物的晶体结构通过C–H⋯O型链间氢键得以稳定。链内铜铜间距为5.178（3）Å，而链间铜铜间距最短为7.614（6）Å。在1.8–300 K的温度范围内进行的磁性研究表明，发生了弱链内反铁磁耦合，J  = −1.04 cm -1，以及链间交换相互作用，zJ '= 0.34 cm -1。标题化合物似乎是化学计量相同的蓝紫色化合物（2）的多晶型物，最近已报道了其X射线结构。考虑到羧基桥联基团和链间氢键的存在，进行了磁结构相关性研究（1）。比较了1和多晶型2的结构和磁性。