((2-pyridin-4-yl)-imidazole-4,5-dicarboxylate)2Zn(H2O)2 | 1322095-10-2

• 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: ((2-pyridin-4-yl)-imidazole-4,5-dicarboxylate)2Zn(H2O)2
• CAS: 1322095-10-2
• 化学式: C₂₀H₁₆N₆O₁₀Zn
• 分子量: 565.771
• InChiKey: KRCNOLZVFVTPGF-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：

  zinc(II) nitrate hexahydrate 、 2-(pyridin-4-yl)-1H-imidazole-4,5-dicarboxylic acid 在 NaOH 作用下， 以 水 为溶剂， 以57%的产率得到((2-pyridin-4-yl)-imidazole-4,5-dicarboxylate)2Zn(H2O)2
  参考文献：
  名称：

  The Zn(II)-organic coordination polymers based on 2-(pyridin-4-yl)-1H-imidazole-4,5-dicarboxylate ligands: Crystal structures and luminescent properties

  摘要：

  Two novel compounds, [Zn(H2PIDC)(2)(H2O)(2)] (1) and [Zn-4(PIDC)(2)(SO4)(H2O)(5)]center dot(2.5H(2)O) (2) (H3PIDC = 2-(pyridin-4-yl)-1H-imidazole-4,5-dicarboxylic acid) have been synthesized under hydrothermal condition, and characterized by thermal analyses (TGA), powder X-ray diffractions (PXRD). and single-crystal X-ray diffractions, respectively. Compound 1 is constructed from mononuclear molecules which form the 2D square networks and further extend to 30 supermolecular framework through the pi-pi stacking and strong hydrogen bonding interactions. Compound 2 exhibits a 3D framework and generates the ID open rhombic channels filled with the coordinated water molecules, sulfate anions and free water molecules. The structure of 2 can be rationalized as a (4.4.4)-connected net and shown as a unique (4.5(3).6.7)(4)(4(2).5(2).7(2))(2)(5(2).6(2).7(2)) topology. The different luminescent nature for 1 and 2 may be due to their various delocalization environments. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2011.05.032