{Ru(η6-C6H6)(2,6-bis(3,5-dimethylpyrazol-1-ylmethyl)pyridine)Cl}PF6 | 155209-33-9

• 英文名称: {Ru(η6-C6H6)(2,6-bis(3,5-dimethylpyrazol-1-ylmethyl)pyridine)Cl}PF6
• CAS: 155209-33-9
• 化学式: C₂₃H₂₇ClN₅Ru*F₆P
• 分子量: 654.988
• InChiKey: KAZXEKVDMHTIGE-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
  None
• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  [RuCl2(benzene)]2 、 ammonium hexafluorophosphate 、 2,6-bis(3,5-dimethylpyrazol-1-ylmethyl)pyridine 以 甲醇 为溶剂， 生成 {Ru(η6-C6H6)(2,6-bis(3,5-dimethylpyrazol-1-ylmethyl)pyridine)Cl}PF6
  参考文献：
  名称：

  New piano-stool ruthenium(II) complexes of benzene and bidentate/tridentate nitrogen-donor ligands: synthesis and characterization

  摘要：

  New piano-stool ruthenium(II) complexes, [Ru(eta6-C6H6)L1]2+, [Ru(eta6-C6H6)(L2)Cl]+, [Ru(eta6-C6H6) (L3)Cl]+, [Ru(eta-C6H6)(L4)Cl]+ and [Ru(eta6-C6H6)(L5)Cl]+ have been isolated as their hexafluorophosphate salts by bridge-cleavage reactions of [{Ru(eta6-C6H6)Cl2}2] in methanol with the potentially tri- and bi-dentate nitrogen-containing ligands [2-(2-pyridyl)ethyl] (2-pyridylmethyl)methylamine (L1), 2,6-bis(pyrazol-1-ylmethyl)pyridine (L2) and its tetramethyl-substituted derivative (L3), 2-(pyrazol-1-ylmethyl)pyridine (L4) and its dimethyl derivative (L5). The structures of these compounds in MeCN solution have been elucidated by H-1 NMR spectroscopy. The complex [Ru(eta6-C6H6)L1][PF6]2 has been characterized by single-crystal X-ray crystallography: triclinic, space group P1BAR (no. 2), a = 7.790(3), b = 10.039(3), c = 16.679(5) angstrom, alpha = 88.31(2), beta = 83.15(3), gamma = 77.19(3)degrees and Z = 2. The structure has been refined to an R factor of 0.063 based on 5330 observed reflections. Average Ru-C and Ru-N (two types) bond lengths are 2.202(6) and 2.114(5) and 2.170(5) angstrom respectively.

  DOI：

  10.1039/dt9940000465