[Ni(2-(4-methoxyphenyl)-1H-imidazo[4,5-f][1,10] phenanthroline)₃(pyrogallic acid(-2H))]*H₂O | 1637769-06-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: [Ni(2-(4-methoxyphenyl)-1H-imidazo[4,5-f][1,10] phenanthroline)₃(pyrogallic acid(-2H))]*H₂O
• 英文别名: [Ni(MOPIP)₃(pyrogallic acid(-2H))]*H₂O
• CAS: 1637769-06-2
• 化学式: C₆H₄O₃*C₆₀H₄₂N₁₂NiO₃*H₂O
• 分子量: 1179.87
• InChiKey: FQPZBLZQOCWEED-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：

  邻苯三酚 、 水 、 nickel(II) acetate tetrahydrate 、 2-(4-methoxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline 反应 144.0h， 以54%的产率得到[Ni(2-(4-methoxyphenyl)-1H-imidazo[4,5-f][1,10] phenanthroline)₃(pyrogallic acid(-2H))]*H₂O
  参考文献：
  名称：

  Hydrothermal Synthesis and Crystal Structure of a Complex with Pyrogallic Acid and N-donor Ligand: 2-(4-methoxyphenyl)-1H-imidazo[4,5-f][1,10] Phenanthroline

  摘要：

  The complex [Ni(MOPIP)(3)(C6H5O3)](n)center dot nH(2)O 1 (C6H5O3 = pyrogallic acid, MOPIP = 2-(4-methoxyphenyl)-1H-imidazo[4,5-f][1,10] phenanthroline) has been hydrothermally synthesized and structurally characterized by elemental analysis, IR spectrum, TG, and single-crystal X-ray diffraction. Complex 1 crystallizes in the monoclinic system, space group P 21/c, with a = 17.249 (3), b = 15.014 (3), c = 21.437 (4) angstrom, = 92.14 (3), V = 5547.7 (19) angstrom(3), and Z = 4 [at 293 (2) K]. In the crystal structure, the nickel atom is six coordinated with six nitrogen atoms from MOPIP ligand, showing a slightly distorted octahedral geometry. Furthermore, it exhibits a zero-dimensional (0D) structure with Ni-MOPIP as building units. The complex 1 extends 3D supramolecular structure through the hydrogen bonds and the - stacking interactions enhance the stability of the complex.

  DOI：

  10.1080/15533174.2013.817422