([triaquacobalt(II)(1,10-phenanthroline)(1,2,4,5-benzenetetracarboxylic acid(-2H))]*H2O)(n) | 676151-92-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: ([triaquacobalt(II)(1,10-phenanthroline)(1,2,4,5-benzenetetracarboxylic acid(-2H))]*H2O)(n)
• 英文别名: ([Co(H2O)3(H2Btec)(Phen)]*H2O)(n)
• CAS: 676151-92-1
• 化学式: C₂₂H₁₈CoN₂O₁₁*H₂O
• 分子量: 563.4
• InChiKey: MJVOPRAOYYZRFX-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  1,10-菲罗啉 、 cobalt(II) chloride hexahydrate 、 水 、 1,2,4,5-benzenetetracarboxylic acid dihydrate 以 水 为溶剂， 以80%的产率得到([triaquacobalt(II)(1,10-phenanthroline)(1,2,4,5-benzenetetracarboxylic acid(-2H))]*H2O)(n)
  参考文献：
  名称：

  Functional self-assembly of hydrogen-bonded 3D coordination networks constructed from 1,2,4,5-benzenetetracarboxylic acid

  摘要：

  Hydrothermal synthesis, characterization (IR, TG/DTA, element analysis, inductively coupled plasma (ICP)) and single-crystal X-ray structures of H(4)Btec hydrate and its two cobalt complexes, colorless [H(4)Btec center dot 2H(2)O] (n) (I), pink [Co(H2O)(6)(H(2)Btec)] (n) (II), and nacarat {[Co(H2O)(3)(H(2)Btec)(Phen)] center dot H2O} (n) (III) (H(4)Btec = 1,2,4,5-benzenetetracarboxylic acid, Phen = 1,10-phenanthroline) have been solved. The results showed that I forms a 3D O-H center dot center dot center dot O hydrogen-bonded network generated from H(4)Btec and water molecules, II presents a 3D network constructed by mononuclear [Co(H2O)(6)](2+) cations and H(2)Btec(2-) dianions through extensive hydrogen-bonding interactions, and III gives rise to a pseudo-octahedral coordination geometry. Extensive hydrogen-bonding interactions have significant effects in configuring a 3D network constructed by mononuclear [Co(H(2)Btec)(Phen)(H2O)(3)] neutral molecules and a water molecules.

  DOI：

  10.1134/s1070328407070019