[Co((1,4-bis(imidazol-1-ylmethyl)benzene)(4-bromobenzoate))2]2 | 1415125-68-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [Co((1,4-bis(imidazol-1-ylmethyl)benzene)(4-bromobenzoate))2]2
• 英文别名: 4-Bromobenzoate;cobalt(2+);1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazole
• CAS: 1415125-68-6
• 化学式: C₅₆H₄₄Br₄Co₂N₈O₈
• 分子量: 1394.62
• InChiKey: XYEVUCCGAWBVEM-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  78
• 可旋转键数：
  8
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  232
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  cobalt(II) chloride hexahydrate 、 4-溴苯甲酸 、 1,4-双[(1H-咪唑-1-基)甲基]苯 以 水 为溶剂， 反应 72.0h， 以37%的产率得到[Co((1,4-bis(imidazol-1-ylmethyl)benzene)(4-bromobenzoate))2]2
  参考文献：
  名称：

  Ligand-controlled assembly of cobalt(II) metal–organic complexes from different semirigid bis(imidazole) derivatives and aromatic monocarboxylates: Electrochemical behaviors and fluorescent properties

  摘要：

  To explore the influence of the conformation and substitute group of organic ligands on constructing coordination polymers, we synthesized four Co(II) metal-organic complexes, namely, [Co(bix)(BBA)(2)](2) (1), [Co(bix)(DNBA)(2)] (2), [Co(dmpbbbm)(BBA)(2)] (3) and [Co(dmpbbbm)(DNBA)(Cl)] (4) (bix = 1,4-bis(imidazol-1-ylmethyl)benzene, dmpbbbm = 1,4-bis(5,6-dimethylbenzimidazol-1-ylmethyl)benzene, HBBA = 4-bromobenzoic acid, HDNBA = 3,5-dinitrobenzoic acid) under hydrothermal conditions. Complex 1 is a dinuclear cluster and is finally extended into a one-dimensional (1D) supramolecular chain though H-bonding interactions. Complex 2 shows 1D right-handed helical chains. Complex 3 possesses meso-helical chains with left-and right-handed helix, which is further extended into a two-dimensional (2D) supramolecular wave-like network through pi-pi stacking interactions. Complex 4 exhibits a meso-helical chain with left-and right-handed helical loops in one single strand, which is ultimately packed into a three-dimensional (3D) supramolecular framework through pi-pi stacking interactions. In addition, the thermal stability, the fluorescent properties and the electrochemical behaviors of the title complexes at room temperature have been investigated. (C) 2012 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2012.09.033