[Mn(phen)(NO3)2(H2O)] | 1226893-99-7

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: [Mn(phen)(NO3)2(H2O)]
• 英文别名: [Mn(2,9-dimethyl-1,10-phenanthroline)(nitrato)2(H2O)]；2,9-dimethyl-1,10-phenanthroline;manganese(2+);dinitrate;hydrate
• CAS: 1226893-99-7
• 化学式: C₁₄H₁₄MnN₄O₇
• 分子量: 405.226
• InChiKey: UDWNNBJHFWXYSL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.09
• 重原子数：
  26
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  153
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  [Mn(phen)(NO3)2(H2O)] 以 neat (no solvent) 为溶剂， 生成 manganese oxide
  参考文献：
  名称：

  XRD structure of two heptacoordinated Mn(II) complexes containing 2,9-dimethyl-1,10-phenanthroline (phen), nitrato and nicotinato bidentate anions: [Mn(phen)(nicot)(NO3)(H2O)]·EtOH·H2O and [Mn(phen)(NO3)2(H2O)]

  摘要：

  The XRD structure of two seven-coordinated Mn(II) complexes with the formula [Mn(phen)(nicot)(NO3) (H2O)]center dot EtOH center dot H2O Wand [Mn(phen)(NO3)(2)(H2O)] (2) are reported. The 2,9-dimethy1-1,10-phenanthroline, nitrato and nicotinato anions act as bidentate ligands, with Mn-N distances of 2.21-2.29 angstrom and Mn-O distances of 2.17-2.40 angstrom. In both compounds, the water molecule seems to be the strongest coordinated ligand, with bond distances of 2.139(2) angstrom in 1 and 2.195(2) angstrom in 2. The average ratio between coordinated unidentate and bidentate bond lengths less than the unity justifies, from an energetical point of view, the shape of the coordination polyhedra. In the structure of 1, the coordination polyhedron may be best-described as a distorted pentagonal bipyramid with a nitrogen from phenanthroline and the water molecule occupying the apical sites. The polyhedron shape for 2 is close to a square-capped trigonal prism, the capping site being occupied by the water molecule. The crystal structures are built by H-bonded bidimensional sheets piled up by it-it stacking of the partially interpenetrated aromatic moieties of adjacent layers. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2010.01.026
• 作为产物：
  描述：

  乙醇 、 烟酸 、 manganese (II) nitrate tetrahydrate 、 新铜试剂 以 乙醇 为溶剂， 以45%的产率得到[Mn(phen)(nicot)(NO3)(H2O)]*EtOH*H2O
  参考文献：
  名称：

  XRD structure of two heptacoordinated Mn(II) complexes containing 2,9-dimethyl-1,10-phenanthroline (phen), nitrato and nicotinato bidentate anions: [Mn(phen)(nicot)(NO3)(H2O)]·EtOH·H2O and [Mn(phen)(NO3)2(H2O)]

  摘要：

  The XRD structure of two seven-coordinated Mn(II) complexes with the formula [Mn(phen)(nicot)(NO3) (H2O)]center dot EtOH center dot H2O Wand [Mn(phen)(NO3)(2)(H2O)] (2) are reported. The 2,9-dimethy1-1,10-phenanthroline, nitrato and nicotinato anions act as bidentate ligands, with Mn-N distances of 2.21-2.29 angstrom and Mn-O distances of 2.17-2.40 angstrom. In both compounds, the water molecule seems to be the strongest coordinated ligand, with bond distances of 2.139(2) angstrom in 1 and 2.195(2) angstrom in 2. The average ratio between coordinated unidentate and bidentate bond lengths less than the unity justifies, from an energetical point of view, the shape of the coordination polyhedra. In the structure of 1, the coordination polyhedron may be best-described as a distorted pentagonal bipyramid with a nitrogen from phenanthroline and the water molecule occupying the apical sites. The polyhedron shape for 2 is close to a square-capped trigonal prism, the capping site being occupied by the water molecule. The crystal structures are built by H-bonded bidimensional sheets piled up by it-it stacking of the partially interpenetrated aromatic moieties of adjacent layers. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2010.01.026