[Zn(4,4'-bipyridine)(pyridine-2,4,6-tricarboxylic acid-2H)]*H2O | 950603-15-3

• 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(4,4'-bipyridine)(pyridine-2,4,6-tricarboxylic acid-2H)]*H2O
• 英文别名: [Zn(4,4'-bipyridine)(Hptc)]*H2O
• CAS: 950603-15-3
• 化学式: C₈H₃NO₆*C₁₀H₈N₂*H₂O*Zn
• 分子量: 448.707
• InChiKey: JVGAZFBGOUIUCQ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -1.18
• 重原子数：
  29.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  187.73
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  4,4'-联吡啶 、 zinc(II) nitrate hexahydrate 、 吡啶-2,4,6-三羧酸 在 NaOH 作用下， 以 水 为溶剂， 以48.6%的产率得到[Zn(4,4'-bipyridine)(pyridine-2,4,6-tricarboxylic acid-2H)]*H2O
  参考文献：
  名称：

  A novel 2D herringbone-like zinc coordination polymer built from helical motif: Hydrothermal synthesis, structure and properties

  摘要：

  A novel coordination polymer [Zn(4,4'-bipyridine)(Hptc) (.) H2O], (H(3)ptc=pyridine-2,4,6-tricarboxylic acid) (1) was obtained via hydrothermal method and characterized by elemental analyses, IR spectrum, TG analysis, luminescent spectrum and single-crystal Xray diffraction analysis. Single-crystal structural analysis reveals that the center Zn2+ ions are linked by bridging - carboxylate group Of H(3)ptc, to form helix. The winding axes parallel to the b axis and the pitch to the length is 7.147 angstrom. Two kinds (one is left handed and the other is right handed) of parallel helices existed correspondingly, which are connected by rigid 4,4'-bipyridine ligand to give a 2D puckered herringbone structural motif. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2006.09.011