[Zn(PDC)(bbi)] | 1438393-03-3

• 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(PDC)(bbi)]
• CAS: 1438393-03-3
• 化学式: C₇H₃NO₄*C₁₀H₁₄N₄*Zn
• 分子量: 420.743
• InChiKey: GUYHKDGUHSRHIL-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -0.63
• 重原子数：
  27.0
• 可旋转键数：
  7.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  128.79
• 氢给体数：
  0.0
• 氢受体数：
  9.0

反应信息

• 作为产物：
  描述：

  2,3-吡啶二甲酸 、 双咪唑丁烷 、 zinc(II) hydroxide 以 水 为溶剂， 反应 72.0h， 以42%的产率得到[Zn(PDC)(bbi)]
  参考文献：
  名称：

  Five new coordination polymers constructed from 1,4-bis(1H-imidazol-1-yl)butane and different carboxylates: Syntheses, structures and photoluminescence

  摘要：

  Five new coordination polymers, namely [Co-2(bbi)(2)(SO4)(2)] (1), [Zn-2(IA)(2)(bbi)(2)] (2), [Cd(AlP)(bbi)(0.5)]center dot H2O (3), [Zn(PDC)(bbi)] (4) and [Cd(PDC)(bbi)]center dot 2H(2)O (5) (H(2)IA = itaconic acid, H(2)AIP = 5-aminoisophthalic acid, H2PDC = pyridine-2,3-dicarboxylic acid and bbi = 1,4-bis(1H-imidazol-1-yl)butane, have been hydrothermally synthesized and characterized by single-crystal X-ray diffraction. The X-ray crystallographic studies of 1 and 5 reveal 3D threefold interpenetrating diamondoid architectures. Compound 2 displays a diamondoid topology. Compound 3 shows a 3D five-connected (4(2)center dot 6(8)) net. Compound 4 displays an undulating layer structure, where the layers are further stacked by pi-pi interactions to generate a 3D supramolecular architecture. The photoluminescent behaviors of 2-5 have also been investigated. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2013.03.060