[Co(1,4-naphthalenedicarboxylate)(4-amino-3,5-bis(4-pyridyl)-1,2,4-triazole)(H2O)]n | 1202641-66-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: [Co(1,4-naphthalenedicarboxylate)(4-amino-3,5-bis(4-pyridyl)-1,2,4-triazole)(H2O)]n
• CAS: 1202641-66-4
• 化学式: C₁₂H₆O₄*C₁₂H₁₀N₆*Co*H₂O
• 分子量: 529.437
• InChiKey: CNQKZBJNPOOBOM-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -0.14
• 重原子数：
  36.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  194.27
• 氢给体数：
  1.0
• 氢受体数：
  10.0

反应信息

• 作为产物：
  描述：

  1,4-萘二甲酸 、 3,5-二(吡啶-4-基)-4H-1,2,4-三唑-4-胺 、 cobalt(II) diacetate tetrahydrate 在 aq. NaOH 作用下， 以 水 为溶剂， 以38%的产率得到[Co(1,4-naphthalenedicarboxylate)(4-amino-3,5-bis(4-pyridyl)-1,2,4-triazole)(H2O)]n
  参考文献：
  名称：

  Metal naphthalenedicarboxylates with diverse network architectures: Synthesis, crystal structures and properties

  摘要：

  Reactions of 1,4-naphthalenedicarboxylic acid (1,4-H(2)nda) and a bent dipyridyl co-ligand 4-amino-3,5-bis(4-pyridyl)-1,2,4-triazole (4bpt) with Co-II, Zn-II, or Cd-II acetate afford four coordination polymers, [Co(1,4-nda)(4bpt)(H2O)](n) (1), {[Co(1,4-nda)(2)(4bpt)(H2O)(2)][Co(4bpt)(H2O)(4)](H2O)(1.5)}(n) (2), {[Zn(1,4-nda)(2)(4bpt)(H2O)(2)][Zn(4bpt)(H2O)(4)](H2O)(1.5)}(n) (3), and {[Cd-2(1,4-nda)(2)(4bpt)(2)(H2O)(2)](DMF)(1.5)(H2O)(3)}(n) (4). In the structure of the Co-II complex 1, the polycatenation of inclined 2-D (4,4) coordination layers leads to the formation of a 3-D supramolecular framework, whereas two types of 1-D polymeric chains are observed in another Co-II coordination species 2, which are interconnected via H-bonding to result in an unusual 3-D host-guest lattice. Notably, complexes 1 and 2 have been prepared under similar hydrothermal conditions and their structural discrepancy can only be ascribed to a subtle change of basicity for the reaction solution. The Zn-II complex 3 is isostructural to 2, and the Cd-II complex 4 displays a 2-fold parallel interpenetrating array of undulating (4,4) coordination layers. By using the conventional solvent evaporation method, two Pb-II naphthalenedicarboxylates [Pb(1,4-nda)(DMF)](n) (5) and {[Pb-2(2,6-nda)(2)(DMF)(2)](DMF)}(n) (6) have also been prepared (2,6-nda = 2,6-naphthalenedicarboxylate). Complex 5 has a unique 5-connected 3-D coordination architecture, whereas 6 represents a 3-fold interpenetrating framework of 4-connected diamond topology. Their structural difference suggests the significant isomeric effect of the naphthalenedicarboxylate tectons on structural assemblies. Thermal stability of these crystalline materials has been investigated by thermogravimetric and differential thermal analysis (TG-DTA) technique and solid-state luminescent properties of the Zn-II, Cd-II, and Pb-II complexes have also been explored. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2009.08.022