[Ni(1,10-phenanthroline-2,9-dicarboxylate)(H2O)3]*H2O | 854933-76-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: [Ni(1,10-phenanthroline-2,9-dicarboxylate)(H2O)3]*H2O
• CAS: 854933-76-9
• 化学式: C₁₄H₁₂N₂NiO₇*H₂O
• 分子量: 396.964
• InChiKey: JNTBHVQXCOTNHZ-UHFFFAOYSA-L

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：

  nickel(II) perchlorate hexahydrate 、 1,10-邻二氮杂菲-2,9-二甲酸 在 KOH 作用下， 以 甲醇 、 水 为溶剂， 以60%的产率得到[Ni(1,10-phenanthroline-2,9-dicarboxylate)(H2O)3]*H2O
  参考文献：
  名称：

  The synthesis and structure of the NiII complex of 1,10-phenanthroline-2,9-dicarboxylate: a three-dimensional network via hydrogen bonding interactions

  摘要：

  A new Ni-II complex, [Ni(L)(H2O)(3)]center dot H2O(L = 1,10-phenanthroline-2,9-dicarboxylate), has been synthesized and structurally determined by X-ray diffraction analysis. The complex crystallizes in monoclinic system, space group P2(1)/c, a = 9.667(4), b = 21.929(9), c = 7.262(3) angstrom, beta = 95.395(7)degrees and Z = 4. In this complex, each metal center adopts an octahedral geometry formed by two N atoms of a ligand L and four 0 atoms from three H2O molecules and a carboxyl of the ligand. Each ligand adopts N,N,O-tridentate coordination mode with two N atoms and an 0 atom chelating a Ni-II center to form a mononuclear molecule. Intermolecular strong O-H center dot center dot center dot O and weak C-H center dot center dot center dot O hydrogen bonds extend the mononuclear structure into a three-dimensional supramolecular architecture. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2005.02.018