poly[manganese(II)-μ2-benzidine-κ2N:N'-μ3-biphenyl-2,2'-dicarboxylato-κ4O:O',O'':O'''] | 831218-95-2

• 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: poly[manganese(II)-μ2-benzidine-κ2N:N'-μ3-biphenyl-2,2'-dicarboxylato-κ4O:O',O'':O''']
• CAS: 831218-95-2
• 化学式: C₁₂H₁₂N₂*C₁₄H₈O₄*Mn
• 分子量: 479.394
• InChiKey: IHOMWKNWNCVYFH-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  33.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  132.3
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  2,2'-联苯二甲酸 、 联苯胺 、 manganese(ll) chloride 以 水 为溶剂， 以80%的产率得到poly[manganese(II)-μ2-benzidine-κ2N:N'-μ3-biphenyl-2,2'-dicarboxylato-κ4O:O',O'':O''']
  参考文献：
  名称：

  Poly[manganese(II)-μ₂-benzidine-κ²N:N′-μ₃-biphenyl-2,2′-dicarboxylato-κ⁴O:O′,O′′:O′′′]

  摘要：

  The title compound, [Mn(C14H8O4)(C12H12N2)](n), with a novel three-dimensional framework, has been prepared by a hydrothermal reaction at 433 K. Each Mn atom lies on a twofold axis in a slightly distorted octahedral geometry, coordinated by two N atoms from two benzidine ligands and four O atoms from three symmetry-related biphenyl-2,2'-dicarboxylate (bpdc) ligands. The benzidine ligands lie about inversion centres and the bpdc ligands about twofold axes. Each bpdc ligand is bonded to three Mn ions to form a continuous chain of metal ions. The bpdc ligands are accommodated in a series of distorted holes resembling hexagonal prisms.

  DOI：

  10.1107/s0108270104020050