bis(2,2'-bipyridine)-1κ2N,N';3κ2N,N'-tetra-μ-chloro-1:2κ2Cl;2:3κ2Cl;3:4κ2-Cl;1:4κ2Cl-tetracopper(I) | 336869-85-3

• 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: bis(2,2'-bipyridine)-1κ2N,N';3κ2N,N'-tetra-μ-chloro-1:2κ2Cl;2:3κ2Cl;3:4κ2-Cl;1:4κ2Cl-tetracopper(I)
• 英文别名: Cu4(μ2-Cl)4(2,2'-bipyridine)2；copper(1+);2-pyridin-2-ylpyridine;tetrachloride
• CAS: 336869-85-3
• 化学式: C₂₀H₁₆Cl₄Cu₄N₄
• 分子量: 708.37
• InChiKey: ILINCMBWGODFRN-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  -7.71
• 重原子数：
  32
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2,2'-联吡啶 、 copper dichloride 在 Zn 、 H₃PO₄ 作用下， 以 水 为溶剂， 以70%的产率得到bis(2,2'-bipyridine)-1κ2N,N';3κ2N,N'-tetra-μ-chloro-1:2κ2Cl;2:3κ2Cl;3:4κ2-Cl;1:4κ2Cl-tetracopper(I)
  参考文献：
  名称：

  Structure and bonding in the hydrothermally synthesized copper(I) complex Cu4(μ2-Cl)4(BIPY)2

  摘要：

  The title compound corresponds to a molecular product of the hydrothermal reaction of CuCl2, Zn, and BIPY (BIPY = 2,2'-bipyridine) in the presence of phosphoric acid. The structure of the neutral Complex Cu-4(mu(2)-Cl)(4)(BIPY)(2) determined by means of Xray diffraction consists of molecular units constructed around a Cu-4 parallelogram, with diagonally opposed tetrahedral and linear copper centers. DFT calculations provide a rationalization of the bonding in this molecule. (C) 2003 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(02)01494-9

文献信息

• Bis(2,2-bipyridine-<i>N</i>,<i>N</i>′)tetra-μ-chloro-tetracopper(I)
  作者：Yong Cui、Jiutong Chen、Gang Chen、Jing Ren、Weichao Yu、Yitai Qian

  DOI：10.1107/s0108270100019855

  日期：2001.4.15

  A novel centrosymmetric chair-like dimer, bis(2,2'-bipyridine)-1 kappa N-2,N';3 kappa N-2,N'-tetra-mu -chloro-1:2 kappa 2Cl;2:3 kappa Cl-2;3:4 kappa (2)-Cl;1:4 kappa Cl-2-tetracopper(I), [Cu4Cl4(C10H8N2)(2)], has been solvothermally synthesized and structurally characterized. The complex self-assembles into a three-dimensional network via C-H . . . Cl hydrogen bonds, pi-pi stacking and weak Cu . . . Cl electrostatic interactions.