bis[η5-[2](4,7)indeno[2]paracyclophanyl]ruthenium(II) | 455260-14-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: bis[η5-[2](4,7)indeno[2]paracyclophanyl]ruthenium(II)
• CAS: 455260-14-7
• 化学式: C₃₈H₃₄Ru
• 分子量: 591.758
• InChiKey: COJHVUGYRDDOLM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.88
• 重原子数：
  39
• 可旋转键数：
  0
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  dichloro(1,5-cyclooctadiene)ruthenium(II) 、 <2.2>-benzoindenophane 在 CH₃Li 作用下， 以 四氢呋喃 为溶剂， 以38%的产率得到bis[η5-[2](4,7)indeno[2]paracyclophanyl]ruthenium(II)
  参考文献：
  名称：

  Three ruthenocene derivatives: (η⁵-4,7-dimethylindenyl)(η⁵-pentamethylcyclopentadienyl)ruthenium(II), [η⁵-[2](4,7)indeno[2]paracyclophanyl](η⁵-pentamethylcyclopentadienyl)ruthenium(II) and bis[η⁵-[2](4,7)indeno[2]paracyclophanyl]ruthenium(II)

  摘要：

  In the title compounds, [Ru(C(10)H(15))(C(11)H(11))], (III), [Ru(C(10)H(15))(C(19)H(17))], (IV), and [Ru(C(19)H(17))(2)], (V), respectively, the coordinating ring systems are planar and parallel, with the Ru atoms lying at perpendicular distances of Ru-Cp* 1.790 (1) A and Ru-indenyl 1.836 (1) A in (III), Ru-Cp* 1.791 (1) A and Ru-indenyl 1.837 (1) A in (IV), and Ru-indenyl 1.812 (1) A and 1.809 (1) A in (V) (Cp* is pentamethylcyclopentadienyl). The ring conformations are eclipsed for (III), staggered for (IV) and intermediate for (V). All three compounds show short intermolecular contacts from C-H groups to some ring centroids; these could be regarded as C-H.pi hydrogen bonds. The molecules of each compound are thus connected via the 2(1) screw axis to form layers parallel to the xy plane.

  DOI：

  10.1107/s0108270102008090