[Co(1,1'-(1,3-propane)bis(2-methylbenzimidazole)(1,3-benzenedicarboxylate)] | 1395791-50-0

• 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: [Co(1,1'-(1,3-propane)bis(2-methylbenzimidazole)(1,3-benzenedicarboxylate)]
• 英文别名: [Co(pbmb)(1,3-bdc)]
• CAS: 1395791-50-0
• 化学式: C₈H₄O₄*C₁₉H₂₀N₄*Co
• 分子量: 527.505
• InChiKey: PAWATKPPDUPAOP-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  36.0
• 可旋转键数：
  6.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  115.9
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  [Co(1,1'-(1,3-propane)bis(2-methylbenzimidazole)(1,3-benzenedicarboxylate)] 以 neat (no solvent, solid phase) 为溶剂， 生成 cobalt(II) oxide
  参考文献：
  名称：

  Construction of six coordination networks based on a flexible bis(methylbenzimidazole) ligand and isomeric benzenedicarboxylates

  摘要：

  To explore the influence of isomeric benzenedicarboxylates on the self-assembly of coordination frameworks, six mixed-ligands Zn(II)/Co(II) coordination complexes, [Zn(pbmb)(1,4-bdc)](n) (1), {[Co(pbmb)(1,4-bdc)] center dot 1.5H2O}(n) (2), [M(pbmb)(1,3-bdc)](n) [M = Zn (3) or Co (4)], and [M(pbmb)(1,2-bdc)](n) [M = Zn (5) or Co (6)] (pbmb = 1,10-(1,3-propane) bis-(2-methylbenzimidazole), 1,2-bdc = 1,2-benzenedicarboxylic acid, 1,3-bdc = 1,3-benzenedicarboxylic acid, and 1,4-bdc = 1,4-benzenedicarboxylic acid), have been obtained and structurally characterized. Structural analyses reveal that complexes 1 and 2 display2D(4, 4) networks, of which complex 1 contains left-and right-handed helical chains arranged alternately and 2 owns a well-known paddle-wheel binuclear clusters. Complexes 3 and 4 feature 2D networks with 6(3) topologies, and complexes 5 and 6 exhibit 1D double-chain structures. Additionally, complexes 1-6 present high thermal stabilities, as well as 1, 3, and 5 show different photoluminescence behaviors in the solid state. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2012.04.043
• 作为产物：
  描述：

  cobalt(II) nitrate hexahydrate 、 间苯二甲酸 、 1,1'-(1,3-propane)bis(2-methylbenzimidazole) 以 水 为溶剂， 以90%的产率得到[Co(1,1'-(1,3-propane)bis(2-methylbenzimidazole)(1,3-benzenedicarboxylate)]
  参考文献：
  名称：

  Construction of six coordination networks based on a flexible bis(methylbenzimidazole) ligand and isomeric benzenedicarboxylates

  摘要：

  To explore the influence of isomeric benzenedicarboxylates on the self-assembly of coordination frameworks, six mixed-ligands Zn(II)/Co(II) coordination complexes, [Zn(pbmb)(1,4-bdc)](n) (1), {[Co(pbmb)(1,4-bdc)] center dot 1.5H2O}(n) (2), [M(pbmb)(1,3-bdc)](n) [M = Zn (3) or Co (4)], and [M(pbmb)(1,2-bdc)](n) [M = Zn (5) or Co (6)] (pbmb = 1,10-(1,3-propane) bis-(2-methylbenzimidazole), 1,2-bdc = 1,2-benzenedicarboxylic acid, 1,3-bdc = 1,3-benzenedicarboxylic acid, and 1,4-bdc = 1,4-benzenedicarboxylic acid), have been obtained and structurally characterized. Structural analyses reveal that complexes 1 and 2 display2D(4, 4) networks, of which complex 1 contains left-and right-handed helical chains arranged alternately and 2 owns a well-known paddle-wheel binuclear clusters. Complexes 3 and 4 feature 2D networks with 6(3) topologies, and complexes 5 and 6 exhibit 1D double-chain structures. Additionally, complexes 1-6 present high thermal stabilities, as well as 1, 3, and 5 show different photoluminescence behaviors in the solid state. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2012.04.043