[Zn(cis-4-cyclohexene-1,2-dicarboxylate)(1H-3,5-bis(4-pyridyl)-1,2,4-triazole)]n | 1359996-88-5

• 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
• 英文名称: [Zn(cis-4-cyclohexene-1,2-dicarboxylate)(1H-3,5-bis(4-pyridyl)-1,2,4-triazole)]n
• CAS: 1359996-88-5
• 化学式: C₈H₈O₄*C₁₂H₉N₅*Zn
• 分子量: 456.776
• InChiKey: JGLPVBMTQNALQR-GCTAOFAESA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -0.01
• 重原子数：
  30.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  147.61
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  托匹司他I杂质 、 cis-1,2,3,6-tetrahydrophthalic acid 、 zinc(II) acetate dihydrate 在 NaOH 作用下， 以 乙醇 、 水 为溶剂， 生成 [Zn(cis-4-cyclohexene-1,2-dicarboxylate)(1H-3,5-bis(4-pyridyl)-1,2,4-triazole)]n
  参考文献：
  名称：

  The structural diversity and luminescent properties of Zn(II) coordination assemblies with cyclohexane (or cyclohexene) dicarboxylate anions and two positional isomeric ligands

  摘要：

  Four Zn(II) coordination polymers, namely {[Zn(chedc)(4,4'-Hbpt)]}(n) (1), ([Zn-3(chadc)(2)(4.4'-Hbpt)(2) (4.4'-bpt)(2)]center dot 3H(2)O](n) (2), {[Zn-2(chadc)(2)(3.3'-Hbpt)]}(n) (3) and [(Zn-2(chedc)(2)(3,3'-Hbpt)]center dot H2O](n) (4) (chadc = cis-1,2-cyclohexanedicarboxylate anion, chedc = cis-4-cyclohexene-1,2-dicarboxylate anion, 4,4'-Hbpt = 1H-3,5-bis(4-pyridy1)-1,2,4-triazole, 3,3'-Hbpt = 1H-3,5-bis(3-pyridy1)-1,2,4-triazole) have been produced by the reaction of two positional isomeric dipyridyl bridging ligands and two dicarboxylate anions with Zn(11) salts under hydrothermal conditions. Structural analysis reveals that 1 exhibits a double-chain and 2 exhibits a 3D network with a (6(2).10)(2)(6(4).10(2)) topology, whilst 3 and 4 show similar layer structures. The luminescent properties of these complexes have been briefly investigated. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.12.030