| 110975-54-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• CAS: 110975-54-7
• 化学式: C₆H₉Cl₃N₃Ti*Cl₆Sb
• 分子量: 611.865
• InChiKey: PWFXZUCMNQKTLU-UHFFFAOYSA-E

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

• 作为反应物：
  描述：

  12-冠醚-4 、 以 乙腈 为溶剂， 以39.7%的产率得到
  参考文献：
  名称：

  Crown ether complexation of titanium: synthesis and structural characterisation of a cationic oxygen-bridged titanium(IV) dimer

  摘要：

  1,4,7,10-Tetraoxacyclododecane (12-crown-4) reacts with [TiCl3(MeCN)3] [SbCl6] in MeCN to form a complex which provides the crown ether titanoxane [{TiCl(mu-O)(12-crown-4)}2] [SbCl6]2.2CH2Cl2 1 following inadvertent hydrolysis. The structure of 1 contains a discrete di-mu-oxo-dititanium cation placed on a crystallographic centre of inversion, two regular (O(h)) SbCl6- anions and two molecules of CH2Cl2 as lattice solvate. The complex crystallises in the space group P2(1)/n with cell dimensions a = 8.337(4), b = 21.307(10), c = 13.626(8) angstrom, bet = 107.13(4)-degrees, with Z = 2; R = 0.038 for 3271 observed reflections [I/sigma(I) greater-than-or-equal-to 2.0]. The core Ti2O2 ring is planar with dimensions Ti-O 1.823(4) and 1.811(3) angstrom and O-Ti-O 79.7(2) and Ti-O-Ti 100.3(2)-degrees. In addition to the two bridging oxygen atoms each titanium atom is bonded to one chlorine [Ti-Cl 2.277(2) angstrom] and all four oxygen atoms of a crown macrocycle [Ti-O 2.121(4)-2.237(4), mean 2.242 angstrom].

  DOI：

  10.1039/dt9920001117