Ni(2-(4-carboxyphenoxy)benzoic acid(2-))(1,10-phenanthroline) | 1273584-42-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 菲咯啉
• 英文名称: Ni(2-(4-carboxyphenoxy)benzoic acid(2-))(1,10-phenanthroline)
• CAS: 1273584-42-1
• 化学式: C₁₂H₈N₂*C₁₄H₈O₅*Ni
• 分子量: 495.113
• InChiKey: WSZDAJMROFYACU-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  2.99
• 重原子数：
  34.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  115.27
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  1,10-菲罗啉 、 nickel(II) chloride hexahydrate 、 2-(4'-carboxy-phenoxy)benzoic acid 在 NaOH 作用下， 以 水 为溶剂， 以42%的产率得到Ni(2-(4-carboxyphenoxy)benzoic acid(2-))(1,10-phenanthroline)
  参考文献：
  名称：

  Hydrothermal Synthesis of Two Ni(II) Metal-Organic Coordination Polymers Constructed From Dicarboxylate and Nitrogen-Contained Ligands

  摘要：

  Two new coordination polymers [Ni(2,4'-oba)(1,10-phen)](n) (1) and {[Ni(2,4'-Hoba)(2) (4,4'-bipy)(H2O)(2)]center dot 2H(2)O}(n) (2) have been synthesized [2,4'-H(2)oba=2-(4-carboxyphenoxy)benzoic acid, 1,10-phen=1,10-phenanthroline and 4,4'-bipy=4,4'-bipyridine]. The framework structures of these polymeric complexes have been determined by single-crystal X-ray diffraction studies. Complex 1 exhibits double-helical chains formed by pi-pi stacking interactions from the phenyl rings of the 1,10-phen ligands. Complex 2 forms a two-dimensional supramolecular architecture directed by hydrogen bonding. In compounds 1 and 2, the oba(2-) ligands exhibit two coordination modes to link metal ions: bidentate chelating and monodenate modes.

  DOI：

  10.1080/15533174.2011.613080