| 148417-99-6

• CAS: 148417-99-6
• 化学式: C₁₂H₂₅CdN₃O₁₁
• 分子量: 499.754
• InChiKey: PNRZYTMBKDVRML-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：

  氮杂-18-冠醚-6 、 cadmium(II) nitrate tetrhydrate 以 甲醇 为溶剂， 以58%的产率得到
  参考文献：
  名称：

  Stability constants of the zinc(II), cadmium(II) and mercury(II) complexes of the mono-aza coronands 1,4,7,10-tetraoxa-13- azacyclopentadecane (L1), 1,4,7,10,13-pentaoxa-16-azacyclooctadecane (L2) and 1,4,7-trioxa-10-azacyclododecane (L3). Crystal and molecular structures of the cadmium complexes of L1 and L2

  摘要：

  The stability constants for the 1:1 complexes of zinc, cadmium and mercury with 1,4,7,10-tetraoxa-13-azacyclopentadecane (L1), 1,4,7,10,13-pentaoxa-16-azacyclooctadecane (L2) and 1,4,7-trioxa-10-azacyclododecane (L3) have been determined potentiometrically (0.1 M NEt4ClO4, 95% methanol). Reaction between L1 or L2 and cadmium nitrate tetrahydrate in methanol results in the isolation of colourless crystalline solids. Crystals of [Cd(L1)(NO3)2] are monoclinic, space group P2(1)/c with a = 7.614(2), b = 28.566(2), c = 7.707(l) angstrom, beta = 107.364(9)-degrees; R = 0.025, R(w) = 0.027 for 2195 (I > 3sigma(I)) reflections. The structure of [Cd(L1)(NO3)2] consists of an almost planar macrocyclic ligand enclosing a cadmium ion in its cavity, with a monodentate and a bidentate nitrate ligand coordinating the cadmium ion on opposite sides of the macrocycle. Crystals of [Cd(L2)(NO3)2] are orthorhombic, space group Pca2(1) with a = 8.738(11), b = 14.140(9), c = 15.176(8) angstrom; R = 0.019, R(w) = 0.022 for 3058 (I > 2.5sigma(I)) reflections. The structure of [Cd(L2)(NO3)2] consists of a cadmium atom enclosed in the cavity of the macrocycle, with a monodentate and a bidentate nitrate ligand on opposite sides of the macrocycle. Two of the oxygen atoms of L2 in [Cd(L2)(NO3)2] do not coordinate the cadmium ion, but the remaining donor atoms of the macrocycle form an almost planar assembly around the cadmium.

  DOI：

  10.1016/s0020-1693(00)85538-3