[Mn(pzda)(bpy)]n | 915793-65-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: [Mn(pzda)(bpy)]n
• 英文别名: [Mn(pyrazine-2,6-dicarboxylate)(2,2'-bipyridine)]n
• CAS: 915793-65-6
• 化学式: C₆H₂N₂O₄*C₁₀H₈N₂*Mn
• 分子量: 377.218
• InChiKey: UXIOSLWBXIEJDZ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -0.66
• 重原子数：
  25.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  131.82
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  2,2'-联吡啶 、 pyrazine-2,6-dicarboxylic acid dihydrate 、 manganese (II) acetate tetrahydrate 在 NaOH 作用下， 以 水 为溶剂， 以45%的产率得到[Mn(pzda)(bpy)]n
  参考文献：
  名称：

  Effect of terminal ligands on assembly of manganese(II) complexes with pyrazine-2,6-dicarboxylic acid

  摘要：

  Three complexes [Mn(pzda)(H2O)(2)](n) (1), [Mn(pzda)(bpy)](n) (2) and [Mn(pzda)(phen)(H2O)(2)] (3) (H(2)pzda = pyrazine-2,6-dicarboxylic acid, bpy = 2,2'-bipyridine, phen = 1,10-phenanthroline) were synthesized by the hydro(solvo)thermal reaction and characterized by single crystal X-ray diffraction, elemental analysis, IR spectrum. Complex 1 is a 2D bilayer structure in which each Mn(II) ion is coordinated to two oxygen atoms and two nitrogen atoms from three pzda ligands and two oxygen atoms of two water molecules. Complex 2 is a 3D metal-organic framework structure. Mn(II) is seven-coordinated: four oxygen atoms and one nitrogen atom from three pzda ligands and other two nitrogen atoms from one bpy molecule, displaying a distorted pentagonal bipyramid geometry. While complex 3 is a mononuclear structure in which Mn(II) ion is seven-coordinated to one pzda, one phen, and two water molecules. The complex is connected into a 3D supramolecular network via hydrogen-bonding and pi-pi stacking interactions. In each of complexes 1-3, pzda ligands adopt different coordination mode. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2006.03.084