octa-tert-butoxybis[μ3-2,2'-(N-methylimino)diethanolato]di-μ-oxo-tetratitanium(IV) | 689277-28-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: octa-tert-butoxybis[μ3-2,2'-(N-methylimino)diethanolato]di-μ-oxo-tetratitanium(IV)
• 英文别名: octa-tert-butoxy-bis[mu~3~-2,2'-(N-methylimino)diethanolato]di-mu-oxo-tetratitanium(IV)；2-[methyl(2-oxidoethyl)amino]ethanolate;2-methylpropan-2-olate;oxygen(2-);titanium(4+)
• CAS: 689277-28-9
• 化学式: C₄₂H₉₄N₂O₁₄Ti₄
• 分子量: 1042.73
• InChiKey: ASUVSEGUUCZYOU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.81
• 重原子数：
  62
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  285
• 氢给体数：
  0
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  titanium(IV) tetrabutoxide 、 N-甲基二乙醇胺 以 甲苯 为溶剂， 生成 octa-tert-butoxybis[μ3-2,2'-(N-methylimino)diethanolato]di-μ-oxo-tetratitanium(IV)
  参考文献：
  名称：

  An oxo-bridged centrosymmetric tetranuclear titanium compound

  摘要：

  The title compound, octa-tert-butoxybis[mu(3)-2,2'-(N-methylimino)diethanolato]di-mu-oxo-tetratitanium(IV), [Ti2O{(OCH2CH2)(2)(NCH3)){(CH3)(3)CO)(4)](2) or [Ti-4(C5H11NO2)(2)(C4H9O)(8)O-2], lies about an inversion centre, and displays the less usual zigzag configuration. One O atom of the N-methyldiethoxoamine ligand bridges the symmetry-related Ti atoms, while the other bridges the two independent Ti atoms, with the N atom binding to give a facial configuration. Four (BuO-)-Bu-t ligands and a bridging oxide complete the respective five- and sixfold coordination of the two Ti atoms. The Ti-O bond lengths range in a self-consistent fashion from 1.7624 (17) to 2.0878 (18) Angstrom, while the Ti-N bond length is 2.374 (2) Angstrom.

  DOI：

  10.1107/s0108270103027902