[Cu((diethyl 5,6,7,8,15,16-hexahydro-6,7-dioxodibenzo[1,4,8,11]tetraazacyclotetradecine-13,18-dicarboxylate)Cu)2(H2O)(NO3)]2 | 1021490-42-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: [Cu((diethyl 5,6,7,8,15,16-hexahydro-6,7-dioxodibenzo[1,4,8,11]tetraazacyclotetradecine-13,18-dicarboxylate)Cu)2(H2O)(NO3)]2
• CAS: 1021490-42-5
• 化学式: C₄₈H₄₈Cu₄N₁₂O₂₆
• 分子量: 1463.16
• InChiKey: BXCLPDOMIUPVKC-UHFFFAOYSA-J

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：

  水 、 (diethyl 5,6,7,8,15,16-hexahydro-6,7-dioxodibenzo[1,4,8,11]-tetraazacyclotetradecine-13,18-dicarboxylate(-2H))copper(II) 、 copper(II) nitrate trihydrate 以 乙醇 为溶剂， 以53%的产率得到[Cu((diethyl 5,6,7,8,15,16-hexahydro-6,7-dioxodibenzo[1,4,8,11]tetraazacyclotetradecine-13,18-dicarboxylate)Cu)2(H2O)(NO3)]2
  参考文献：
  名称：

  From “naked” copper(II) ions and asymmetric macrocyclic complex linkers with a monodentate top and a bidentate top to molecular rectangle and infinite molecular rectangle strands

  摘要：

  A molecular rectangle[Cu{CuL1(NO3)}(H2O)(NO3)](2) (1) and two in. nite molecular rectangle strands {[ Cu{CuL 1( NO3)} 2] 2H2O} 1 (2) and [Cu{CuL2(ClO4)}(2)]infinity(3) were prepared by reaction of "naked'' Cu(II) ions with macrocyclic complex ligands CuL1 for 1 and 2 and CuL 2 for 3 in metal-to-ligand molar ratios of 1: 1, 1: 2 and 1: 2, respectively. L-1 and L-2 denote the dianions of diethyl 5,6,7,8,15,16-hexahydro- 6,7-dioxodibenzo[ 1,4,8,11] tetraazacyclotetradecine-13,18-dicarboxylate and diethyl 5,6,7,8,15,16-hexahydro-15-methyl-6,7dioxodibenzo[ 1,4,8,11] tetraazacyclotetradecine-13,18-dicarboxylate, respectively. The structures of 1-3 were determined by X-ray single-crystal analyses. CuL 1 in 1 and 2 and CuL 2 in 3 act as angular linkers with a monodentate coordination top and a bidentate one between two Cu( II) nodes to enclose the molecular rectangle of 1 and the rectangular subunits of 2 and 3. The angular shape, the monodentate top plus bidentate top coordination mode and the self-complementarity for pi center dot center dot center dot pi interactions of the macrocyclic complex linkers, the ratio between the reactants and the octahedral coordination geometry of the naked Cu( II) ions jointly determined the interesting structures of metallocyclophane 1 and 1D double chain coordination polymers 2 and 3. The cavities of the rectangular molecules of 1 are arranged into in. nite strands so that parallel channels occur in the crystal. The molecules of 2 and 3 all pack parallel in the crystals. (c) 2007 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2007.09.030