[Cu(4’-chloro-2,2’:6’,2’’-terpyridine )(H2O)(NO3)2] | 1163223-50-4

• 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(4’-chloro-2,2’:6’,2’’-terpyridine )(H2O)(NO3)2]
• 英文别名: [Cu(Cltpy)(H2O)(NO3)2]；trans-[Cu(4'-chloro-2,2':6',2''-terpyridine-κ3N,N',N'')(NO2-κO)2(H2O-κO)]；copper;4-chloro-2,6-dipyridin-2-ylpyridine;dinitrate;hydrate
• CAS: 1163223-50-4
• 化学式: C₁₅H₁₂ClCuN₅O₇
• 分子量: 473.289
• InChiKey: RADWIDFONFEMJU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.55
• 重原子数：
  29
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  165
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  copper(II) nitrate trihydrate 、 4'-氯-2,2':6',2''-三联吡啶 以 甲醇 为溶剂， 反应 2.0h， 以51%的产率得到[Cu(4’-chloro-2,2’:6’,2’’-terpyridine )(H2O)(NO3)2]
  参考文献：
  名称：

  The effect of potential supramolecular-bond promoters on the DNA-interacting abilities of copper–terpyridine compounds

  摘要：

  基于吡啶基铜（II）络合物的细胞毒性行为中，超分子相互作用优于DNA裂解能力。

  DOI：

  10.1039/c5dt02211h

文献信息

• Anionic effects on the formation of tridentate 4′-chloro-2,2′:6′,2″-terpyridine copper(II) complexes having 1:1 or 1:2 ratio of metal and ligand and their crystal symmetry
  作者：Wei Huang、Wei You、Li Wang、Cheng Yao

  DOI：10.1016/j.ica.2008.09.046

  日期：2009.5

  A facile synthetic procedure has been used to prepare one five-coordinate and four six-coordinate copper(II) complexes of 4'-chloro-2,2':6',2 ''-terpyridine (tpyCl) ligand with different counterions (SO(4)(2-), NO(3)(-), BF(4)(-), PF(6)(-), and ClO(4)(-)) in high yields. They are formulated as [Cu(tpyCl-kappa(3)N,N',N '')(SO(4)-kappa O)(H(2)O-kappa O)] center dot 2H(2)O (1), trans-[Cu(tpyCl-kappa(3)N,N',N '')(NO(3)-kappa O)(2)(H(2)O-kappa O)](2), [Cu(tpyCl-kappa(3)N,N',N '')(2)](BF(4))(2) (3), [Cu(tpyCl-kappa(3)N,N',N '')(2)](PF(6))(2) (4) and [Cu(tpyCl-kappa(3)N,N',N '')(2)](ClO(4))(2) (5) and versatile interactions in supramolecular level including coordinative bonding, O-H center dot center dot center dot O, O-H center dot center dot center dot Cl, C-H center dot center dot center dot F, and C-H center dot center dot center dot Cl hydrogen bonding, pi-pi stacking play essential roles in forming different frameworks of 1-5. It is concluded that the difference of coordination abilities of the counterions used and the experimental conditions codominate the resulting complexes with 1:1 or 1:2 ratio of metal and ligand. (c) 2008 Elsevier B.V. All rights reserved.