[Co(1,4-benzenedicarboxylic acid(-2H))(N,N′,N″-tris(3-pyridyl)-1,3,5-benzenetricarboxamide)]n | 1421852-87-0

• 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-benzenedicarboxylic acid(-2H))(N,N′,N″-tris(3-pyridyl)-1,3,5-benzenetricarboxamide)]n
• CAS: 1421852-87-0
• 化学式: C₈H₄O₄*C₂₄H₁₈N₆O₃*Co
• 分子量: 661.556
• InChiKey: SMICQLVDGTUVJK-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  2.04
• 重原子数：
  46.0
• 可旋转键数：
  8.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  206.23
• 氢给体数：
  3.0
• 氢受体数：
  10.0

反应信息

• 作为产物：
  描述：

  对苯二甲酸 、 cobalt(II) carbonate 、 N,N',N''-tris(3-pyridinyl)-1,3,5-benzenetricarboxamide 以 水 为溶剂， 反应 72.0h， 生成 [Co(1,4-benzenedicarboxylic acid(-2H))(N,N′,N″-tris(3-pyridyl)-1,3,5-benzenetricarboxamide)]n
  参考文献：
  名称：

  Metal(II) coordination polymers based on a flexible N,N′,N″-tris(3-pyridyl)-1,3,5-benzenetricarboxamide ligand and organic polycarboxylate ligands: Syntheses, structures, and luminescence

  摘要：

  Four metal(II) coordination polymers based on a flexible ligand N,N',N ''-tris(3-pyridyl)-1,3,5-benzenetricarboxamide (L), namely, [Co(L-1)(L)](n) (1), {[Cd(L-1)(L)]center dot 0.5H(2)O}(n) (2), {[Zn-1.5(L-2)(L)(H2O)(2)]center dot 1.5H(2)O}(n) (3) and {[Co-1.5(L-2)(L)(H2O)(2)]center dot 1.5H(2)O}(n) (4), where H2L1 = 1,4-benzenedicarboxylic acid and H3L2 = 1,3,5-benzenetricarboxylic acid, have been synthesized under hydrothermal conditions. The structure analyses reveal that compounds 1 and 2 are isomorphic three-dimensional networks and posses (3,5)-connected nets with (4(2).6)(2)(4(2).6(4).8(10).10) topology. Both 3 and 4 are isomorphic layered structures, which can be simplified as 2D -> 2D interpenetrating undulated 6(3)-hcb nets. The structural differences indicate that the effect of polycarboxylate ligands play an important role in the resulting structures of these networks. Moreover, thermal properties and luminescent properties were also investigated for the compounds. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.10.047