([Cd(1,4-bis(benzimidazol-2-yl)butane)(N3)(OAc)]*C2H5OH)n | 1210046-87-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: ([Cd(1,4-bis(benzimidazol-2-yl)butane)(N3)(OAc)]*C2H5OH)n
• CAS: 1210046-87-9
• 化学式: C₂H₃O₂*C₂H₆O*C₁₈H₁₈N₄*Cd*N₃
• 分子量: 549.911
• InChiKey: OAPYBRZMXUSJHK-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  3.62
• 重原子数：
  33.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  176.42
• 氢给体数：
  3.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  ([Cd(1,4-bis(benzimidazol-2-yl)butane)(N3)(OAc)]*C2H5OH)n 以 neat (no solvent, solid phase) 为溶剂， 生成 cadmium(II) oxide
  参考文献：
  名称：

  Three novel Cd(II) coordination polymers: Synthesis, crystal structures, fluorescence and thermal properties

  摘要：

  Three novel Cd(II) coordination polymers, {[Cd(C(4)BIm)(N-3)(OAc)]center dot C2H5OH}(n) (1), [Cd(C(4)BIm)(H2O)(3)(SO4)](n) (2) (C(4)BIm = 1,4-bis(benzimidazolyl)butane) and [Cd(bbbm)(1.5)(NO3)(2)](n) (3) (bbbm = 1,1'-(1,4-butanediy)bis-1H-benzimidazole) have been prepared and characterized spectroscopically and crystallographically. In polymer 1, C(4)BIm-Cd chains and N-3-Cd chains criss-cross to a layer structure. Polymer 2 possesses a concave-convex chain structure. Polymer 3 exhibits a two-dimensional (2-D) rhomboid grid network, the dimensions of the grid is 25.807 x 13.771 angstrom, and the diagonal-to-diagonal distances are 28.608 x 21.145 angstrom. The fluorescence properties and the thermal stabilities of the three polymers were investigated. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2009.06.008
• 作为产物：
  描述：

  乙醇 、 cadmium(II) acetate dihydrate 、 2,2'-(1,4-butanediyl)bis(1H-benzimidazole) 、 sodium azide 以 水 为溶剂， 以81%的产率得到([Cd(1,4-bis(benzimidazol-2-yl)butane)(N3)(OAc)]*C2H5OH)n
  参考文献：
  名称：

  Three novel Cd(II) coordination polymers: Synthesis, crystal structures, fluorescence and thermal properties

  摘要：

  Three novel Cd(II) coordination polymers, {[Cd(C(4)BIm)(N-3)(OAc)]center dot C2H5OH}(n) (1), [Cd(C(4)BIm)(H2O)(3)(SO4)](n) (2) (C(4)BIm = 1,4-bis(benzimidazolyl)butane) and [Cd(bbbm)(1.5)(NO3)(2)](n) (3) (bbbm = 1,1'-(1,4-butanediy)bis-1H-benzimidazole) have been prepared and characterized spectroscopically and crystallographically. In polymer 1, C(4)BIm-Cd chains and N-3-Cd chains criss-cross to a layer structure. Polymer 2 possesses a concave-convex chain structure. Polymer 3 exhibits a two-dimensional (2-D) rhomboid grid network, the dimensions of the grid is 25.807 x 13.771 angstrom, and the diagonal-to-diagonal distances are 28.608 x 21.145 angstrom. The fluorescence properties and the thermal stabilities of the three polymers were investigated. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2009.06.008