[Zn(thiophene-2,5-dicarboxylate)(3,5-bis(imidazole-1-yl)pyridine)] | 1447737-69-0

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: [Zn(thiophene-2,5-dicarboxylate)(3,5-bis(imidazole-1-yl)pyridine)]
• 英文别名: [Zn(tdc)(bip)]
• CAS: 1447737-69-0
• 化学式: C₆H₂O₄S*C₁₁H₉N₅*Zn
• 分子量: 446.761
• InChiKey: JSYNURUUDQQECZ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -0.07
• 重原子数：
  28.0
• 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：
  128.79
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为产物：
  描述：

  2,5-噻吩二羧酸 、 zinc(II) nitrate hexahydrate 、 3,5-二(4-咪唑-1-基)吡啶 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 96.0h， 以40%的产率得到[Zn(thiophene-2,5-dicarboxylate)(3,5-bis(imidazole-1-yl)pyridine)]
  参考文献：
  名称：

  Zinc coordination polymers with rigid dicarboxylates and semirigid 3,5-bis(imidazole-1-yl) pyridine: syntheses, structural topologies, and luminescent properties

  摘要：

  Two metal coordination polymers, {[Zn(bpdc)(bip)]2H2O}(n) (1) and [Zn(tdc)(bip)] (2) [H(2)bpdc=biphenyl-4,4'-dicarboxylate, H(2)tdc=thiophene-2,5-dicarboxylate, bip=3,5-bis(imidazole-1-yl)pyridine], have been synthesized and characterized by IR, elemental analysis, XRD, and X-ray single-crystal diffraction. In 1, bpdc and bip link Zn(II) ions into a corrugated 2D layer. The corrugated 2D layers polycatenate each other, yielding a 2D3D polycatenation net. In 2, dinuclear Zn(II) units are formed by bip and further connected by tdc to construct a 2D 3-connected framework. The luminescent properties of 1 and 2 are investigated in the solid state at room temperature.

  DOI：

  10.1080/00958972.2013.809423