[Cd(2,5-bis(4-pyridyl)-1,3,4-thiadiazole)(pyridine-2,6-dicarboxylic acid N-oxide-2H)]n | 1161829-19-1

• 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
• 英文名称: [Cd(2,5-bis(4-pyridyl)-1,3,4-thiadiazole)(pyridine-2,6-dicarboxylic acid N-oxide-2H)]n
• 英文别名: [Cd(bpt)(pydco)]n
• CAS: 1161829-19-1
• 化学式: C₇H₃NO₅*C₁₂H₈N₄S*Cd
• 分子量: 533.803
• InChiKey: CPIVXLIJVDSLRL-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -0.29
• 重原子数：
  31.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  158.76
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为产物：
  描述：

  吡啶-2,6-二甲酸 、 2,5-双(4-吡啶)-1,3,4-噻二唑 、 cadmium(II) acetate dihydrate 在 NaOH 作用下， 以 甲醇 、 水 为溶剂， 以50%的产率得到[Cd(2,5-bis(4-pyridyl)-1,3,4-thiadiazole)(pyridine-2,6-dicarboxylic acid N-oxide-2H)]n
  参考文献：
  名称：

  A series of 1-D to 3-D metal–organic coordination architectures assembled with V-shaped bis(pyridyl)thiadiazole under co-ligand intervention

  摘要：

  Six new coordination polymers based on V-shaped linkage 2,5-bis(4-pyridyl)-1,3,4-thiadiazole (bpt) and transition metal ions, [Co(bpt)(pm)(0.5)(H2O)]n center dot 3nH(2)O (1), [Cu-2(bpt)(pm)(H2O)(4)](n) (2), [Co(bpt)(pydc)](n) center dot 2nCHCl(3) center dot nH(2)O (3), [Cu-2((b)pt)(pydc)(2)(H2O)(2)](n) (4), [Cu-2(bpt)(pydco)(2)(H2O)(2)](n) center dot nH(2)O (5) and [Cd(bpt)(pydco)](n) (6) (H(4)pm = pyromellitic acid, H(2)pydc = pyridine-2,6-dicarboxylic acid, H(2)pydco = pyridine-2,6-dicarboxylic acid N-oxide), have been synthesized under the intervention of various polycarboxylate ligands. Complex 1 exhibits a 3-D 4-connected structure with 1-D nanosized open channels encapsulated lots of water molecules. Complex 2 represents a 2-D grid containing two types of rectangular windows. When pydc and pydco instead of pm, complexes 3 and 6 were obtained with highly undulated 2-D layers. The interlayers of 3 are filled with two kinds of solvent molecules, whereas 6 is a double-layered framework without free molecules. Complexes 4 and 5 consist of two distinct 1-D infinite chains held together to form different 2-D supramolecular networks. Importantly, bpt spacer shows changeful conformational geometries and generates complicated crystalline architectures with the introduction of polycarboxylate ligands. Additionally, thermal stability of complexes 1, 3 and 5, fluorescent properties of 6 and X-ray powder diffraction of 1 have also been investigated. (C) 2008 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2008.08.028