Cu3(1,3-bis[5-(2-pyridyl)-2H-tetrazolyl]propane)2Cl6 | 676319-03-2

• 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: Cu3(1,3-bis[5-(2-pyridyl)-2H-tetrazolyl]propane)2Cl6
• 英文别名: dichlorocopper;2-[2-[3-(5-pyridin-2-yltetrazol-2-yl)propyl]tetrazol-5-yl]pyridine
• CAS: 676319-03-2
• 化学式: C₃₀H₂₈Cl₆Cu₃N₂₀
• 分子量: 1072.04
• InChiKey: CWWBOSGCQRVLTR-UHFFFAOYSA-H

计算性质

• 辛醇/水分配系数(LogP)：
  5.88
• 重原子数：
  59
• 可旋转键数：
  12
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  226
• 氢给体数：
  0
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  copper(II) choride dihydrate 、 1,3-bis-[5-(2-pyridyl)-2H-tetrazolyl]propane 以 乙醇 为溶剂， 以58%的产率得到Cu3(1,3-bis[5-(2-pyridyl)-2H-tetrazolyl]propane)2Cl6
  参考文献：
  名称：

  Trinuclear Cu(II) complex with tetrazolyl-pyridine units as a bridging ligand: synthesis, characterization and X-ray structure

  摘要：

  Reaction of 5-(2-pyridyl)tetrazole with 1,3-dibromopropane afforded three regioisomeric multidentate ligands L-1, L-2 and L-3 containing two tetradentate pyridyl/tetrazolyl units linked by a flexible propylene spacer. These compounds were fully characterized by IR, H-1 and C-13 NMR spectroscopy and elemental analysis. The crystal structure of L-1 was determined. With Cu(II), L-1 formed a trinuclear complex Cu-3(L-1)(2)Cl-6. Its structure was determined crystallographically. In the complex, the three copper atoms are found to be in a strict linear arrangement, with the ligand bridging two adjacent copper atoms. The central copper ion is six-co-ordinated. The co-ordination spheres of the terminal copper atoms are distorted square pyramidal. Inter and intramolecular pi, pi-stacking interactions are observed in the free ligand and in complex 1. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2003.08.012