acetonitrile solvat of [(copper(II))2(monofluoracetate)4(acetonitrile)2] | 353793-50-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: acetonitrile solvat of [(copper(II))2(monofluoracetate)4(acetonitrile)2]
• 英文别名: dicopper;acetonitrile;2-fluoroacetate
• CAS: 353793-50-7
• 化学式: C₂H₃N*C₁₂H₁₄Cu₂F₄N₂O₈
• 分子量: 558.39
• InChiKey: ZLSMALUAVKMVMJ-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  -3.59
• 重原子数：
  31
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  232
• 氢给体数：
  0
• 氢受体数：
  15

反应信息

• 作为产物：
  描述：

  乙腈 、 copper(II) fluoroacetate hydrate 以 乙腈 为溶剂， 生成 acetonitrile solvat of [(copper(II))2(monofluoracetate)4(acetonitrile)2]
  参考文献：
  名称：

  摘要：

  Compounds [Cu-2(CH2FCOO)(4). 2CH(3)CN](CH3CN) (I) and Ag-3(CF3COO)(3)(CH3CN)(2) (II) were synthesized and studied by X-ray structural analysis. Crystals I are monoclinic, space group C2/c, a 27.854(6), b = 8.286(2), c = 19.428(4) Angstrom, eta = 106.82(3)degrees, V = 4292(2) Angstrom (3), Z = 8, R-1 = 0.0426; crystals II are triclinic, space group P (1) over bar ,a = 8.676(2), b = 9.819(2), c = 11.961(2) Angstrom, alpha = 95.27(3), beta = 109.59(3)degrees, gamma = 104.60(3)degrees V = 911.4(3) Angstrom (3), Z = 2, R-1 = 0.0252. Structure I is composed of the structural units ("lanterns") typical of copper(II) carboxylates. The presence of an additional acetonitrile molecule noncoordinated by the copper atoms makes it possible to consider compound I as a lattice clathrate. Structure II has no analogs among the silver carboxylates. It simultaneously contains silver atoms with coordination numbers varying from 2 to 4.

  DOI：

  10.1023/a:1011314814830