[Co(2-propyl-1H-imidazole-4,5-dicarboxylic acid(-3H))(1,10-phenanthroline)]*H2O | 1389320-06-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 菲咯啉
• 英文名称: [Co(2-propyl-1H-imidazole-4,5-dicarboxylic acid(-3H))(1,10-phenanthroline)]*H2O
• 英文别名: [Co(PrIDC)(phen)]*H2O
• CAS: 1389320-06-2
• 化学式: C₈H₇N₂O₄*C₁₂H₈N₂*Co*H₂O
• 分子量: 452.372
• InChiKey: BDNOPNRRQKXKAK-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  -0.33
• 重原子数：
  30.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  164.53
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  1,10-菲罗啉 、 cobalt(II) nitrate hexahydrate 、 2-丙基咪唑二羧酸 、 水 以 水 为溶剂， 以70%的产率得到[Co(2-propyl-1H-imidazole-4,5-dicarboxylic acid(-3H))(1,10-phenanthroline)]*H2O
  参考文献：
  名称：

  Construction of cobalt-imidazole-based dicarboxylate complexes with topological diversity: From metal–organic square to one-dimensional coordination polymer

  摘要：

  Two new complexes, namely, Co(IDC)(phen) (1) and (Co(PrIDC)(phen)](n)center dot nH(2)O (2) (H3IDC = 4,5-imidazoledicarboxylic acid, H3PrIDC = 2-propyl-1H-imidazole-4,5-dicarboxylic acid, and phen = 1,10-phenanthroline) have been hydrothermally synthesized and structurally characterized. Complex 1 crystallizes in a tetranuclear fashion with a square ring-like structure. Complex 2 shows an infinite one-dimensional chain structure, in which the six-coordinated Co3+ exhibits distorted octahedral geometry. It is particularly worth noting that the existence of the substitute group of 2-position in the 4,5-imidazoledicarboxylate ligand plays a critical role in the formation of the resulting diverse topological structures. The fluorescence properties of complexes 1 and 2 in the solid state have also been investigated. (C) 2012 Elsevier By. All rights reserved.

  DOI：

  10.1016/j.inoche.2012.05.053