[Zn(2-propyl-1H-imidazole-4,5-dicarboxylic acid(-H))2(H2O)] | 1331728-25-6

• 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: [Zn(2-propyl-1H-imidazole-4,5-dicarboxylic acid(-H))2(H2O)]
• CAS: 1331728-25-6
• 化学式: C₁₆H₂₀N₄O₉Zn
• 分子量: 477.746
• InChiKey: CYWZPBWVHZHYTR-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：

  2-丙基咪唑二羧酸 、 水 、 zinc(II) acetate dihydrate 在 NaN(CN)2 、 triethylamine 作用下， 以 甲醇 为溶剂， 以57%的产率得到[Zn(2-propyl-1H-imidazole-4,5-dicarboxylic acid(-H))2(H2O)]
  参考文献：
  名称：

  Hydrothermal synthesis, crystal structure, and lunimescence properties of a new zinc complex containing the 2-Propyl-1H-imidazole-4,5-dicarboxylate and water ligands

  摘要：

  A new zinc(II) complex Zn(H(3)Pimda)(2)] center dot H2O (I), where H(3)Pimda = 2-Propyl-1H-imidazole-4, 5-dicarboxylic acid, has been synthesized and characterized by elemental analysis, IR spectroscopy and X-ray single-crystal diffraction. It crystallizes in the triclinic system, space group P1 , with a = 8.397(3), b = 11.271(4), c = 12.312(5), alpha = 70.432(5), beta = 70.984(5), gamma = 74.897(5)A degrees, V = 1022.9(7) (3), M (r) = 475.71, Z = 2, rho (c) = 1.695 g/cm(3), F(000) = 488, mu = 1.151 mm(-1), R = 0.0659 and Rw =0.1525 for 3769 observed reflections. The hydrogen bonding derived from the coordinated waters connects the mononuclear zinc complex units into a one-dimensional chain, and these chains are further linked by intermolecular hydrogen bonds into a 2D supramolecular network. Complex I also displays strong photoluminescence properties in the liquid state at room temperature.

  DOI：

  10.1134/s1070328411070050