[Co(ortho-phenylenediacetate)(4,4-bipyridine)] | 1312597-87-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: [Co(ortho-phenylenediacetate)(4,4-bipyridine)]
• 英文别名: [Co(ophda)(bpy)]
• CAS: 1312597-87-7
• 化学式: C₁₀H₈N₂*C₁₀H₈O₄*Co
• 分子量: 407.351
• InChiKey: AMKFQASWPWPREF-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  0.41
• 重原子数：
  27.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  106.04
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  [Co(ortho-phenylenediacetate)(4,4-bipyridine)] 以 neat (no solvent, solid phase) 为溶剂， 生成 cobalt(II) oxide
  参考文献：
  名称：

  Structure and properties of cobalt ortho-phenylenediacetate coordination polymers with rigid dipyridyl ligands

  摘要：

  Divalent cobalt coordination polymers containing both ortho-phenylenediacetate (ophda) and rigid dipyridyl ligands 4,4'-bipyridine (bpy) or 1,2-bis(4-pyridyl)ethylene (dpee) display different topologies depending on carboxylate binding mode, tether length, and inclusion of charged species. [Co(ophda)(H2O)(dpee)](n) (1) displays a common (4,4) grid layer motif. Use of the shorter bpy tether afforded {[Co-2(ophda)(2)(bpy)(3)(H2O)(2)][Co(bpy)(2)(H2O)(4)](NO3)(2)center dot 2bpy center dot 7H(2)O}(n) (2) or [Co(ophda)(bpy)](n) (3) depending on cobalt precursor. Compound 2 manifests 5-connected [Co-2(ophda)(2)(bpy)(3)(H2O)(2)](n) pillared bilayer slabs with rare 4(8)6(2) SnS topology and entrained [Co(bpy)(2)(H2O)(4)](2+) complex cations. The 3-D coordination polymer 3 has an uncommon 4,6-connected binodal (4(4)6(2))(4(4)6(10)8) fsc topology, and shows ferromagnetic coupling (J = +1.5(2) cm (1)) along 1-D spiro-fused [Co(OCO)(2)](n) chain submotifs. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.04.029
• 作为产物：
  描述：

  4,4'-联吡啶 、 1,2-苯二乙酸 、 cobalt(II) diacetate tetrahydrate 以 水 为溶剂， 以38%的产率得到[Co(ortho-phenylenediacetate)(4,4-bipyridine)]
  参考文献：
  名称：

  Structure and properties of cobalt ortho-phenylenediacetate coordination polymers with rigid dipyridyl ligands

  摘要：

  Divalent cobalt coordination polymers containing both ortho-phenylenediacetate (ophda) and rigid dipyridyl ligands 4,4'-bipyridine (bpy) or 1,2-bis(4-pyridyl)ethylene (dpee) display different topologies depending on carboxylate binding mode, tether length, and inclusion of charged species. [Co(ophda)(H2O)(dpee)](n) (1) displays a common (4,4) grid layer motif. Use of the shorter bpy tether afforded {[Co-2(ophda)(2)(bpy)(3)(H2O)(2)][Co(bpy)(2)(H2O)(4)](NO3)(2)center dot 2bpy center dot 7H(2)O}(n) (2) or [Co(ophda)(bpy)](n) (3) depending on cobalt precursor. Compound 2 manifests 5-connected [Co-2(ophda)(2)(bpy)(3)(H2O)(2)](n) pillared bilayer slabs with rare 4(8)6(2) SnS topology and entrained [Co(bpy)(2)(H2O)(4)](2+) complex cations. The 3-D coordination polymer 3 has an uncommon 4,6-connected binodal (4(4)6(2))(4(4)6(10)8) fsc topology, and shows ferromagnetic coupling (J = +1.5(2) cm (1)) along 1-D spiro-fused [Co(OCO)(2)](n) chain submotifs. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.04.029