[Cu(pyridine-2,3-dicarboxylate)(1,3-bis(4-pyridyl)propane)]n | 873196-24-8

• 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: [Cu(pyridine-2,3-dicarboxylate)(1,3-bis(4-pyridyl)propane)]n
• 英文别名: [Cu(pyrdc)(bpp)]n
• CAS: 873196-24-8
• 化学式: C₇H₃NO₄*C₁₃H₁₄N₂*Cu
• 分子量: 426.919
• InChiKey: SGRFKGCGPPAIDL-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  0.46
• 重原子数：
  28.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  118.93
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  [Cu(pyridine-2,3-dicarboxylate)(1,3-bis(4-pyridyl)propane)]n 、 二氧化碳 以 neat (no solvent) 为溶剂， 生成 [Cu(pyridine-2,3-dicarboxylate)(1,3-bis(4-pyridyl)propane)*2CO2]n
  参考文献：
  名称：

  Guest-Induced Asymmetry in a Metal−Organic Porous Solid with Reversible Single-Crystal-to-Single-Crystal Structural Transformation

  摘要：

  A metal-organic honeycomb-like 2D pillared-bilayer open framework has been constructed which shows dynamic sponge-like single-crystal-to-single-crystal transformation upon dehydration and rehydration. The dehydrated acentric nonporous phase transformed to the porous centric phase with the selective adsorbate concomitant with the structural transformation correlated with the single-crystal structure determination.

  DOI：

  10.1021/ja0561439
• 作为产物：
  描述：

  [Cu(pyridine-2,3-dicarboxylate)(1,3-bis(4-pyridyl)propane)](5H₂O) 以 neat (no solvent, solid phase) 为溶剂， 生成 [Cu(pyridine-2,3-dicarboxylate)(1,3-bis(4-pyridyl)propane)]n
  参考文献：
  名称：

  Guest-Induced Asymmetry in a Metal−Organic Porous Solid with Reversible Single-Crystal-to-Single-Crystal Structural Transformation

  摘要：

  A metal-organic honeycomb-like 2D pillared-bilayer open framework has been constructed which shows dynamic sponge-like single-crystal-to-single-crystal transformation upon dehydration and rehydration. The dehydrated acentric nonporous phase transformed to the porous centric phase with the selective adsorbate concomitant with the structural transformation correlated with the single-crystal structure determination.

  DOI：

  10.1021/ja0561439