[Zn(1,10-phenanthroline)(1,4-phenylenediacetate)(H2O)]2 | 935778-32-8

• 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: [Zn(1,10-phenanthroline)(1,4-phenylenediacetate)(H2O)]2
• CAS: 935778-32-8
• 化学式: C₄₄H₃₆N₄O₁₀Zn₂
• 分子量: 911.571
• InChiKey: OWUZMUBNTWUNHB-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  1,10-菲罗啉 、 1,4-苯二乙酸 、 zinc(II) acetate dihydrate 在 NaOH 作用下， 以 乙醇 、 水 为溶剂， 以37%的产率得到[Zn(1,10-phenanthroline)(1,4-phenylenediacetate)(H2O)]2
  参考文献：
  名称：

  Metal-dependent assembly and structure of metal 1,4-phenylenediacetate complexes with 1,10-phenanthroline

  摘要：

  Three new complexes, [Cu(PDA)(phen)] center dot 2H(2)O (1), [Zn(PDA)(phen)(H2O)] (2) and [Mn(PDA)(0.5)(phen)(H2O)(3)] center dot (PDA)(0.5) center dot (H2O)(0.25) (3), were obtained by reactions of metal ions with flexible ligand 1,4-phenylenedi acetic acid (H,PDA) and auxiliary ligand 1,10-phenanthroline (phen) under solvothermal conditions. They have been characterized by single-crystal X-ray diffraction, elemental analysis, IR spectrum and thermal analysis. Single-crystal X-ray diffraction analysis shows that the structures of complexes 1-3 are completely different. In complex 1, Cu(II) ion is four-coordinated, and Cu(I 1) ions are bridged by PDA ligands into I D chains. Both complexes 2 and 3 are dimers, but in complex 2, Zn(II) ion is five-coordinated and two Zn(I I) ions are linked by two PDA ligands with cis-contiguration, resulting in a cyclic structure. While in complex 3, Mn(II) ion is six-coordinated and two Mn(II) ions are bridged by one PDA ligand co-operated with the terminal ligand phen, forming a dimer. Therefore, radius and thus coordination number of metal ions take a decisive role in the construction of complexes 1-3. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2006.08.011