| 192519-86-1

• CAS: 192519-86-1；192587-70-5
• 化学式: C₄₆H₃₆Fe₂HgN₂
• 分子量: 929.089
• InChiKey: SXSGUMNNDSCCJS-UHFFFAOYSA-N

计算性质

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

反应信息

• 作为产物：
  描述：

  以 not given 为溶剂， 生成 HgCl2(triphenylphosphine)2 、
  参考文献：
  名称：

  Symmetrization reaction of mercurated ferrocenylimines. X-ray crystal structure of [Hg{(η5-C5H5) Fe(η5-C5H3CPh=NC6H4-4-Br)}2]

  摘要：

  The symmetrization reaction of mercurated anils of benzoylferrocene 1 was easily achieved by refluxing 1 and PPh3 in CHCl3 solution, and afforded the symmetrized products [Hg{(eta(5)-C5H5)Fe(eta(5)-C5H3CPh=NAr)}(2)] (Ar = a variety of substituted phenyls and beta-naphthyl) 2. During the reaction the organometallic complex salts [RHgPPh3]Cl formed; this can disproportionate to give the symmetrized products. The molecular structure of [Hg(eta(5)-C5H5)Fe(eta(5)-C5H3CPh=NC6H4-4-Br)}(2)] has been determined by single-crystal X-ray analysis. It crystallizes in the triclinic space group P (1) over bar, with a = 13.001(4), b = 13.029(2), c = 12.236(2)Angstrom, alpha = 103.00(1), beta = 104.10(2), gamma = 78.86(2)degrees and Z = 2. Refinement led to R = 0.027 (Rw = 0.037) using 3271 unique reflections with I > 3 sigma(1). The distance between N(2) and Hg is 2.981(6)Angstrom, shorter than the sum of van der Waals radii of N and Hg (3.05-3.15 Angstrom), indicating an intramolecular coordination of N(2) and Hg. The 1(H) NMR spectra of [Hg{(eta(5)-C5H5)Fe(eta(5)-C5H3CPh=NAr)}(2)] (Ar = C6H4-2-Cl and 2-naphthyl) show that both compounds exist as rotamers in solution.

  DOI：

  10.1016/s0022-328x(96)06602-8