Cd(2-((benzoimidazol-yl)methyl)-1H-tetrazole)(1,3-benzenedicarboxylate) | 1373113-44-0

• 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(2-((benzoimidazol-yl)methyl)-1H-tetrazole)(1,3-benzenedicarboxylate)
• CAS: 1373113-44-0
• 化学式: C₈H₄O₄*C₉H₈N₆*Cd
• 分子量: 476.73
• InChiKey: IQGOKELXLUBFSQ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -0.99
• 重原子数：
  28.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  152.54
• 氢给体数：
  1.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  Cd(2-((benzoimidazol-yl)methyl)-1H-tetrazole)(1,3-benzenedicarboxylate) 以 neat (no solvent, solid phase) 为溶剂， 生成 cadmium(II) oxide
  参考文献：
  名称：

  Synthesis, Crystal Structure, and Properties of a Cd(II) Coordination Polymer Based on 2-((Benzoimidazol- yl)methyl)-1H-Tetrazole and 1,3-Benzenedicarboxylate Ligands

  摘要：

  A new coordination polymer, [Cd(bimt)(bdc)](n) (1), has been synthesized through the self-assembly of Cd(NO3)(2) with unsymmetrical N-heterocyclic ligand 2-((benzoimidazol-yl) methyl)-1H-tetrazole (bimt) and 1,3-benzenedicarboxylic acid (H(2)bdc). Singlecrystal X-ray diffraction determination shows that polymer 1 possesses an infinite 2-D layered structure with intersecting linear chains center dot center dot center dot(Cd)(2)-(bimt)(2)center dot center dot center dot and center dot center dot center dot(Cd)(2)-(bdc)(2)center dot center dot center dot, respectively. The adjacent layers are connected through the hydrogen bond resulting in a three-dimensional packing structure in solid state. In addition, the luminescent and the thermal properties have been investigated.

  DOI：

  10.1080/15533174.2011.609852
• 作为产物：
  描述：

  cadmium(II) nitrate tetrhydrate 、 间苯二甲酸 、 2-((benzoimidazol-yl)methyl)-1H-tetrazole 在 CH₃ONa 作用下， 以 水 为溶剂， 生成 Cd(2-((benzoimidazol-yl)methyl)-1H-tetrazole)(1,3-benzenedicarboxylate)
  参考文献：
  名称：

  Synthesis, Crystal Structure, and Properties of a Cd(II) Coordination Polymer Based on 2-((Benzoimidazol- yl)methyl)-1H-Tetrazole and 1,3-Benzenedicarboxylate Ligands

  摘要：

  A new coordination polymer, [Cd(bimt)(bdc)](n) (1), has been synthesized through the self-assembly of Cd(NO3)(2) with unsymmetrical N-heterocyclic ligand 2-((benzoimidazol-yl) methyl)-1H-tetrazole (bimt) and 1,3-benzenedicarboxylic acid (H(2)bdc). Singlecrystal X-ray diffraction determination shows that polymer 1 possesses an infinite 2-D layered structure with intersecting linear chains center dot center dot center dot(Cd)(2)-(bimt)(2)center dot center dot center dot and center dot center dot center dot(Cd)(2)-(bdc)(2)center dot center dot center dot, respectively. The adjacent layers are connected through the hydrogen bond resulting in a three-dimensional packing structure in solid state. In addition, the luminescent and the thermal properties have been investigated.

  DOI：

  10.1080/15533174.2011.609852