Mn(4-bromoisophthalate)(2,2'-bipyridine) | 1263039-08-2

• 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: Mn(4-bromoisophthalate)(2,2'-bipyridine)
• CAS: 1263039-08-2
• 化学式: C₈H₃BrO₄*C₁₀H₈N₂*Mn
• 分子量: 454.138
• InChiKey: IUUVLSTTZPJJCK-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  1.32
• 重原子数：
  26.0
• 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：
  106.04
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  2,2'-联吡啶 、 4-溴-1,3-苯二甲酸 、 水 、 manganese (II) acetate tetrahydrate 在 KOH 作用下， 以 水 为溶剂， 生成 Mn(4-bromoisophthalate)(2,2'-bipyridine)
  参考文献：
  名称：

  Hydrothermal Preparation, Crystal Structures, and Properties of New Mn(II) Metal-organic Frameworks with 4-bromoisophthalic Acid and N-donor Ligands

  摘要：

  Two new coordination polymers, [Mn(Bript)(2,2'-bipy)] (1) and [Mn(Bript)(phen)(H2O)](H2O) (2), were prepared through hydrothermal reactions of Mn(II) acetate with H2Bript (H2Bript = 4-bromoisophthalic acid), and the N-donor ligands 2,2'-bipy and phen (2,2'-bipy = 2,2'-bipyridine, phen = 1,10-phenanthroline). Both complexes were structurally characterized by elemental analysis, IR spectroscopy, and X-ray single-crystal diffraction. Their X-ray crystal structures show that the two complexes belong to triclinic and monoclinic systems, P-1 space group for 1 and a = 9.389 (3) angstrom, b = 11.170 (3) angstrom, c = 16.629 (5) angstrom, = 90.759 (3)degrees, = 95.061(3)degrees, = 93.214(3)degrees, P2(1)/c space group for 2 and a = 12.980(14) angstrom, b = 11.120 (12) angstrom, c = 13.079(14) angstrom, = 92.868(10)degrees, respectively. Complex 1 exhibits a 1D ladderlike chain, and then the neighboring 1D chains are further linked by the stacking interactions to form a 2D supramolecular network. While complex 2 possesses a 2D layer structure, there also exists extensive intra- and intermolecular hydrogen-bonding interactions. The thermal stabilities of the two corresponding complexes have been briefly investigated.

  DOI：

  10.1080/15533174.2010.522649