Ni(5-bromoisophthalate)(1,4-bis(imidazole)butane) | 1314760-62-7

• 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: Ni(5-bromoisophthalate)(1,4-bis(imidazole)butane)
• CAS: 1314760-62-7
• 化学式: C₈H₃BrO₄*C₁₀H₁₄N₄*Ni
• 分子量: 491.951
• InChiKey: QOBVRVDBLBCENV-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  0.73
• 重原子数：
  28.0
• 可旋转键数：
  7.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  115.9
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  双咪唑丁烷 、 5-溴基异萘酸 、 nickel(II) acetate tetrahydrate 以 水 为溶剂， 生成 Ni(5-bromoisophthalate)(1,4-bis(imidazole)butane)
  参考文献：
  名称：

  Syntheses and Crystal Structures of Two New Complexes with 5-Bromoisophthalate and Bis(imidazole) Ligands

  摘要：

  Two new complexes, [Cu(5-Br-ip)(biim-5)](n) (1) and [Ni(5-Br-ip) 2(biim-4)](n) (2) [5-Br-H(2)ip = 5-bromoisophthalate; biim-4 = 1,4-bis(imidazol)butane; biim-5 = 1,5-bis(imidazole)pentane], have been synthesized via hydrothermal reactions and characterized by elemental analysis and single-crystal x-ray analysis. Complex 1 belongs to the monoclinic system, P2(1)/c space group, a = 7.6055(19) angstrom, b = 25.860(6) angstrom, c = 10.075(3) angstrom, beta = 96.585(3)degrees, F (000)= 1028, R1 = 0.0327, wR(2) = 0.0820; Complex 2 belongs to the triclinic system, P-1 space group, a = 9.4766(12) angstrom, b = 11.5781(14) angstrom, c = 14.1063(17) angstrom, alpha = 73.5900(10)degrees, beta = 71.8470(10)degrees, gamma = 74.337(2)degrees, F (000) = 736, R-1 = 0.0662, wR(2) = 0.1626. In complex 1, the 5-Br-ip ligand takes the bidentate-bridging and bidentate-chelatingmodes to bridge the neighboring Cu(II) ions to yield a one-dimensional (1D) double chain with dinuclear Cu units. However, the 5-Br-ip ligand takes the bidentate-bridgingmodes to bridge the neighbouring Ni(II) ions to yield a 1D chain in complex 2. Both 1D chains in 1 and 2 are connected by biim-5 or biim-4 to form an infinite two-dimensional (2D) layer.

  DOI：

  10.1080/15533174.2011.609219