[Co(bis(3-pyridinecarboxamide)-1,4-benzene)(1,3-benzenedicarboxylate)]*H2O | 1309571-98-9

• 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(bis(3-pyridinecarboxamide)-1,4-benzene)(1,3-benzenedicarboxylate)]*H2O
• CAS: 1309571-98-9
• 化学式: C₈H₄O₄*C₁₈H₁₄N₄O₂*Co*H₂O
• 分子量: 559.461
• InChiKey: QDGSVHJERTZHDV-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  0.57
• 重原子数：
  38.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  195.74
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  水 、 cobalt(II) chloride hexahydrate 、 间苯二甲酸 、 N,N'-bis(3-pyridinecarboxamide)-1,4-benzene 在 NaOH 作用下， 以 水 为溶剂， 以34%的产率得到[Co(bis(3-pyridinecarboxamide)-1,4-benzene)(1,3-benzenedicarboxylate)]*H2O
  参考文献：
  名称：

  Three new two-dimensional metal-organic coordination polymers derived from bis(pyridinecarboxamide)-1,4-benzene ligands and 1,3-benzenedicarboxylate: Syntheses and electrochemical property

  摘要：

  Three new metal-organic coordination polymers, [Co(3-bpcb)(1,3-BDC)]center dot H2O (1), [Co(4-bpcb)(1,3-BDC)]center dot 2H(2)O (2) and [Cu(4-bpcb)(1,3-BDC)](2)center dot 0.5(4-bpcb) (3), have been hydrothermally synthesized using N,N'-bis(3-pyridinecarboxamide)-1,4-benzene (3-bpcb) or N,N'-bis(4-pyridinecarboxamide)-1,4-benzene (4-bpcb) and 1,3-benzenedicarboxylate (1,3-H2BDC) mixed ligands and characterized by elemental analyses, IR, TG, XRPD and single-crystal X-ray diffraction. Complexes 1e2 exhibit the similar two-dimensional (2D) network with different undulation degrees and dimensions, owing to different N positions from the 3-bpcb and 4-bpcb ligands. 1,3-BDC ligand in complexes 1 and 2 shows two coordination modes. The adjacent 2D layers for 1-2 are further linked by hydrogen bonding interactions to form a three-dimensional (3D) supramolecular network. Complex 3 possesses infinite 3-fold interpenetrating 2D network composed of three kinds of Cu-4-bpcb one-dimensional (1D) chains and 1,3-BDC ligands, in which 1,3-BDC only shows one coordination mode. The 2D network is further extended into 3D supramolecular framework by hydrogen bonding interactions. The non-coordinated 4-bpcb ligands existing in the 2D network connect with adjacent 2D layers through the hydrogen bonding interactions. In addition, the electrochemical behaviors and the fluorescence property of complexes 1-3 have been reported. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2010.12.009