(η(6)-benzene)(η(4)-tribenzylidenemethane)ruthenium | 236111-98-1

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物
• 英文名称: (η(6)-benzene)(η(4)-tribenzylidenemethane)ruthenium
• 英文别名: (η(6)-benzene)(η(4)-tribenzylidenemethane)ruthenium C28H24Ru, monoclinic, P21/C；benzene;[3-phenyl-2-(phenylmethyl)prop-1-enyl]benzene;ruthenium(2+)
• CAS: 236111-98-1
• 化学式: C₂₈H₂₄Ru
• 分子量: 461.569
• InChiKey: DHCODEWRAGRTCW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.26
• 重原子数：
  29
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 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：

  [RuCl2(benzene)]2 、 以 四氢呋喃 为溶剂， 以7%的产率得到(η(6)-benzene)(η(4)-tribenzylidenemethane)ruthenium
  参考文献：
  名称：

  Tribenzylidenemethane complexes of ruthenium. Synthesis and effects of the diastereoisomerism on the crystal packing

  摘要：

  Reaction of the tribenzylidenemethane (TBM) dianion with [RuCl2(C6H6)](2) yields a diastereoisomeric mixture of the metal complexes with formula [Ru(TBM)(C6H6)], which can be separated by column chromatography and fractional crystallisation. The crystal structures of both compounds were determined by X-ray diffraction on single crystals. The arrangement of the phenyl rings has a major influence on the build-up of the crystal lattice. The molecule containing the propeller-shaped ligand of C-3 symmetry crystallises in a layer structure with a packing arrangement that is caused by the fragment TBM. The close similarity with the crystal structure of [Ta(TBM)(eta(5)-C5H5)(CH3)(2)] shows that the fragment TBM can serve as a synthon for crystal engineering. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(99)00076-5