(η6-p-cymene)(oxalato-κ(2)O,O')-(pyridine-3,5-dicarboxylic acid-κN)ruthenium(II) | 916611-81-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (η6-p-cymene)(oxalato-κ(2)O,O')-(pyridine-3,5-dicarboxylic acid-κN)ruthenium(II)
• 英文别名: (eta^6^-p-cymene)(oxalato-kappa^2^O,O')(pyridine-3,5-dicarboxylic acid-kappaN)ruthenium(II)；1-methyl-4-propan-2-ylbenzene;oxalate;pyridine-3,5-dicarboxylic acid;ruthenium(2+)
• CAS: 916611-81-9
• 化学式: C₁₉H₁₉NO₈Ru
• 分子量: 490.432
• InChiKey: PHQMNBYDSKKCFL-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  0.08
• 重原子数：
  29
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  168
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  silver tetrafluoroborate 、 3,5-吡啶二甲酸 、 μ-oxalato-κ(2)O(1),O(2):κ(2)O(1'),O(2')-bis[(η6-p-cymene)(triphenylphosphine-κP)-ruthenium(II)] bis(tetrafluoroborate) 以 丙酮 为溶剂， 以0%的产率得到μ-oxalato-κ(2)O(1),O(2):κ(2)O(1'),O(2')-bis[(η6-p-cymene)(pyridine-3,5-dicarboxylic acid-κN)ruthenium(II)]
  参考文献：
  名称：

  Oxalate complexes of the (η⁶-p-cymene)ruthenium(II) fragment: μ-oxalato-κ²O¹,O²:κ²O^1′,O^2′-bis[(η⁶-p-cymene)(triphenylphosphine-κP)ruthenium(II)] bis(tetrafluoroborate) and (η⁶-p-cymene)(oxalato-κ²O,O′)(pyridine-3,5-dicarboxylic acid-κN)ruthenium(II)

  摘要：

  The crystal structure of dimeric mu-oxalato-bis[(eta(6)-cymene)(triphenylphosphine)ruthenium(II)] bis(tetrafluoroborate), [Ru-2(C2O4)(C10H14)(2)(C18H15P)(2)](BF4)(2), has the cation lying on an inversion centre. The complex demonstrates the trans bond-weakening influence, with the longest Ru-C(eta(6)-p- cymene) bonds in the complex lying trans to the phosphine group. The related mononuclear species (eta(6)-p-cymene)(oxalato)(pyridine-3,5-dicarboxylic acid)ruthenium(II), [Ru-(C2O4)(C10H14)(C7H5NO4)], crystallizes as hydrogen-bonded tapes linked through O-H center dot center dot center dot O hydrogen bonds.

  DOI：

  10.1107/s0108270106007487