zinc;1-methylimidazole;1H-pyrrole-2-carboxylate | 210560-18-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: zinc;1-methylimidazole;1H-pyrrole-2-carboxylate
• CAS: 210560-18-2
• 化学式: C₁₈H₂₀N₆O₄Zn
• 分子量: 449.785
• InChiKey: KSHYKWSTCUKDIH-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：

  吡咯-2-羧酸 以 水 、 乙腈 为溶剂， 生成 zinc;1-methylimidazole;1H-pyrrole-2-carboxylate
  参考文献：
  名称：

  Self assembly in transition metal complexes: structural characterisation of the zinc carboxylate{bis(2-pyrrolecarboxylato)bis(1-methylimidazole)}zinc(II)

  摘要：

  The synthesis, spectral characterisation of the zinc(II) pyrrolecarboxylates, [Zn(2-Hpyrrc)(2)(H(2)O)] (1) and [Zn(2-Hpyrrc)(2)(1-methylimidazole)(2)] (2) (Z-H(2)pyrrc = 2-pyrrolecarboxylic acid) is reported as well as the X-ray structure determination of the latter compound. The molecular.structure of 2 exhibits a distorted tetrahedral geometry around the zinc atom. The pyrrole-2-carboxylic acid acts as a monodentate ligand, syn-bound via one carboxylate oxygen atom. In the crystal structure, the discrete molecules of 2 are organised in dimers linked by a complex network of hydrogen bonds. A comparative IR study confirms the existence of different types of hydrogen bonding. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(98)00047-3