[Ag(4-pyridin-3-yl-benzoate)(4-pyridin-3-yl-benzoic acid)]_n | 1612880-71-3

• 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: [Ag(4-pyridin-3-yl-benzoate)(4-pyridin-3-yl-benzoic acid)]_n
• 英文别名: [Ag(3,4-Pybz)(3,4-HPybz)]_n
• CAS: 1612880-71-3
• 化学式: Ag*C₁₂H₈NO₂*C₁₂H₉NO₂
• 分子量: 505.278
• InChiKey: BQYNVQYJLWPGDH-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  3.56
• 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：
  103.21
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  silver nitrate 、 4-吡啶-3-基-苯甲酸 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 72.5h， 以36%的产率得到[Ag(4-pyridin-3-yl-benzoate)(4-pyridin-3-yl-benzoic acid)]_n
  参考文献：
  名称：

  Construction of two new 3D supramolecular networks with 3-pyridyl-4-yl-benzoic acid ligands: Synthesis, characterization, and luminescence

  摘要：

  Two new coordination polymers with 3-pyridyl-4-yl-benzoic acid (3,4-HPybz), namely, [Zn(3,4-Pybz)(2) center dot 2H(2)O] (n) (I) and [Ag(3,4-Pybz)(3,4-HPybz)] (n) (II), have been synthesized and characterized by elemental analysis, IR spectroscopy, thermogravimetric analysis, and single crystal X-ray diffraction. Compound I crystallizes in the triclinic system and has P1 space group. Complex I is an infinite 1D chain polymer and the infinite chains array uniformly in a 3D supramolecular network which posesses abundant O-H...O hydrogen-bonding interactions among the occupied and unoccupied carboxylate O atoms and the coordinated water molecules; compound II crystallizes in the triclinic system and has space group, II is an infinite chain with the repeat sequence of Ag1(I)-Ag2(I)-Ag1(I), in which weak intermolecular interactions play a key role in forming the final 3D supramolecular architectures. The photoluminescences and lifetime of I and II in the solid state have been investigated.

  DOI：

  10.1134/s1070328414010011