| 1421608-76-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• CAS: 1421608-76-5
• 化学式: C₂₀H₁₃NO₅*C₂₅H₂₃N₃*Cd
• 分子量: 825.215
• InChiKey: QIIYJFFYXJNUFI-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  5.66
• 重原子数：
  55.0
• 可旋转键数：
  8.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  145.87
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  aqueous cadmium chloride 、 3-carboxy-1-(4'-(2''-carboxy)biphenylmethyl)-2-oxidopyridinium 、 4'-(4-tert-butylphenyl)-2,2':6',2''-terpyridine 在 sodium hydroxide 作用下， 以 甲醇 、 水 为溶剂， 反应 72.0h， 以53%的产率得到
  参考文献：
  名称：

  Syntheses, structures and photoluminescent properties of a series of divalent nickel and cadmium complexes based on 3-carboxy-1-(4′-(2″-carboxy)biphenylmethyl)-2-oxidopyridinium and structurally different N-donor ligands

  摘要：

  Ten new coordination polymers, namely, [Cd(L)(pbih)(0.5)] (1), [Ni(L)(pbib)]center dot 2H(2)O (2), [Cd-2(L)(2)(pytp)(2)]center dot H2O (3), [Cd(L)(tbpy)] (4), [Ni(L)(pytp)] (5), [Ni(L)(tbpy)]center dot 0.25H(2)O (6), [Cd(L)(biim-6)(0.5)] (7), [Cd(L)(phen)] (8), [Cd-3(L)(3)(H2O)]center dot H2O (9), and [Cd-3(L)(3)(biim-4)(0.5)]center dot 6H(2)O (10), where biim-4 = 1,1'-(1,4-butanediyl)bis (imidazole), biim-6 = 1,1'-(1,6-hexanedidyl)bis(imidazole), pbib = 1,4-bis(imidazol-1-ylmethyl)benzene, phen = 1,10-phenanthroline, pytp = 2-(6'-(pyridin-2 ''-yl)-4'-p-tolylpyridin-2'-yl)pyridine, tbpy = 2-(4'(4 ''-tert-butylphenyl)-6'-(pyridin-2 ''-yl)pyridin-2'-yl)pyridine and H2L = 3-carboxy-1-(4'-(2 ''-carboxy) biphenylmethyl)-2-oxidopyridinium, have been synthesized under hydrothermal conditions. Their structures have been determined by single-crystal X-ray diffraction analyses and further characterized by infrared spectra (IR), elemental analyses, powder X-ray diffraction (PXRD) and thermogravimetric (TG) analyses. Compounds 1 and 2 show layer structures. Neighboring layers are further linked by pi-pi stacking interactions to form 3D supramolecular architectures. Compound 3 consists of two crystallographically different dimers, which are further linked by pi-pi and hydrogen-bonding interactions into a 2D supramolecular architecture. Compounds 4-6 feature chain structures. In 4, neighboring chains are stacked by pi-pi interactions to result in a 2D supramolecular architecture. In 5, the adjacent chains are linked by pi-pi interactions to yield a 3D supramolecular architecture. In 6, neighboring chains are further linked by hydrogen-bonding interactions into a 3D supramolecular architecture. Compound 7 exhibits a 2D 6(3)-hcb network. Neighboring networks are further extended by it-it stacking interactions into a 3D supramolecular architecture. Compound 8 displays a (4,4) sheet. Compound 9 reveals a 2D (4,4) network. Compound 10 shows a 3D 5-connected framework with (4(6).6(4)) topology. The effects of the L anions and the N-donor ligands on the structures of the coordination polymers have been discussed. In addition, the luminescent properties of 1, 3, 4 and 7-10 have also been investigated in details. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.11.045