[Mn(5-bromoisophthalate)(1,2-Bis(4-pyridyl)-ethane]n | 1333488-51-9

• 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: [Mn(5-bromoisophthalate)(1,2-Bis(4-pyridyl)-ethane]n
• 英文别名: [Mn(5-Br-ip)(bpa)]n
• CAS: 1333488-51-9
• 化学式: C₈H₃BrO₄*C₁₂H₁₂N₂*Mn
• 分子量: 482.192
• InChiKey: KHAJKHCHMXQBLB-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  1.44
• 重原子数：
  28.0
• 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

• 作为产物：
  描述：

  1,2-双(4-吡啶基)乙烷 、 5-溴基异萘酸 、 manganese (II) acetate tetrahydrate 在 KOH 作用下， 以 氢氧化钾 为溶剂， 生成 [Mn(5-bromoisophthalate)(1,2-Bis(4-pyridyl)-ethane]n
  参考文献：
  名称：

  Synthesis, Crystal Structure, and Magnetic Properties of a New Manganese(II) Complex Based on 5-Bromoisophthalate and 1,2-Bis(4-pyridyl)-ethane Ligands

  摘要：

  A new Mn(II) complex, [Mn(5-Br-ip)(bpa)]n [5-Br-H2ip = 5-bromoisophthalate; bpa = 1,2-bis(4-pyridyl)-ethane], has been prepared by hydrothermal reactions of Mn( II) salt and 5-bromoisophthalic acid with bpa and characterized by elemental analysis and single crystal x-ray analysis. The title complex belongs to the monoclinic system, P2/c space group, a = 10.2935(7) angstrom, b = 13.7759(10) angstrom, c = 17.0594(12) angstrom, beta = 103.9340(10)degrees, F(000) = 964. R1 = 0.0586, wR(2) = 0.1716. Complex 1 consists of a two- dimensional (2D) network containing noncentrosymmetric dinuclear Mn units as nodes, and further extends into a three-dimensional (3D) supramolecular architecture via weak interlayer Br center dot center dot center dot Br interactions. Moreover, the magnetic property of the title complex was investigated.

  DOI：

  10.1080/15533174.2011.591320