aqua(benzimidazole)(iminodiacetato)copper(II) | 258855-50-4

• 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: aqua(benzimidazole)(iminodiacetato)copper(II)
• 英文别名: copper;1H-benzimidazole;2-(carboxylatomethylamino)acetate;hydrate
• CAS: 258855-50-4
• 化学式: C₁₁H₁₃CuN₃O₅
• 分子量: 330.787
• InChiKey: JAECOIZSRWAGMZ-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：
  None

反应信息

• 作为产物：
  描述：

  苯并咪唑 、 malachite 、 水 、 亚氨基二乙酸 以 水 为溶剂， 以85%的产率得到aqua(benzimidazole)(iminodiacetato)copper(II)
  参考文献：
  名称：

  Synthesis, XRD structures and properties of diaqua(iminodiacetato)copper(II), [Cu(IDA)(H2O)2], and aqua(benzimidazole)(iminodiacetato)copper(II), [Cu(IDA)(HBzIm)(H2O)]

  摘要：

  The stoichiometric reaction of copper(II) hydroxycarbonate with iminodiacetic acid (H(2)IDA) in water under reduced pressure yields good crystalline samples of [Cu(IDA)(H2O)(2)] (compound I). Using equimolar amounts of benzimidazole (HBzIm) the above reaction produces crystals of [Cu(IDA)(HBzIm)(H2O)] (compound II). Both compounds were characterised by TG analysis (with IR study of the evolved gasses in the pyrolysis), spectral and/or magnetic properties (IR, electronic, ESR spectrum, magnetic susceptibility in the 1.8-300 K range) and single crystal X-ray diffraction. The structure of I was re-determined (final R1 = 0.022) and it confirms the earlier reported distorted octahedral Cu(II) coordination (type 4 + 1 + 1), the fac-terdentate chelating and bridging roles for IDA ligand, as well as the 'polymeric' chain structure, but with a rather different hydrogen bonding network. In compound II (final R1 = 0.035) the Cu(II) exhibits a square base pyramidal coordination (type 4 + 1) and the IDA exhibits the mer-terdentate chelating configuration observed earlier for complexes having equimolar Cu(II)/IDA/HIm or Him-like ratio, but now with a large dihedral angle (31.3 degrees) between basal Cu(II) coordination and HBzIm mean planes. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(99)00272-7