[2-(2-pyridyl)-1H-benzimidazole-κ2N2,N3]bis(p-toluato-κ2O,O')manganese(II) | 1111896-82-2

• 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: [2-(2-pyridyl)-1H-benzimidazole-κ2N2,N3]bis(p-toluato-κ2O,O')manganese(II)
• 英文别名: [2-(2-Pyridyl)benzimidazole-kappa^2^N^2^,N^3^]bis(p-toluato-kappa^2^O,O')manganese(II)；manganese(2+);4-methylbenzoate;2-pyridin-2-yl-1H-benzimidazole
• CAS: 1111896-82-2
• 化学式: C₂₈H₂₃MnN₃O₄
• 分子量: 520.446
• InChiKey: DWLVGWYTXOTCNR-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  3.34
• 重原子数：
  36
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  122
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-(2-吡啶)-苯并咪唑 、 Mn(p-toluic acid)2*2H2O 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 [2-(2-pyridyl)-1H-benzimidazole-κ2N2,N3]bis(p-toluato-κ2O,O')manganese(II)
  参考文献：
  名称：

  [2-(2-Pyridyl)-1H-benzimidazole-κ²N²,N³]bis(p-toluato-κ²O,O′)manganese(II)

  摘要：

  In the title compound, [Mn(C8H7O2)(2)(C12H9N3)], the manganese(II) centre is surrounded by three bidentate chelating ligands, namely, one 2-(2-pyridyl) benzimidazole ligand [Mn-N = 2.1954 (13) and 2.2595 (14) angstrom] and two p-toluate ligands [Mn-O = 2.1559 (13)-2.2748 (14) angstrom]. It displays a severely distorted octahedral geometry, with cis angles ranging from 58.87 (4) to 106.49 (5)degrees. Intermolecular C-H center dot center dot center dot O hydrogen bonds between the p-toluate ligands link the molecules into infinite chains, and every two neighbouring chains are further coupled by N-H center dot center dot center dot O and C-H center dot center dot center dot O hydrogen bonds between the 2-(2-pyridyl) benzimidazole and p-toluate ligands, leading to an infinite ribbon-like double-chain packing mode. The complete solid-state structure can be described as a threedimensional supramolecular framework, stabilized by these intermolecular hydrogen-bonding interactions and possible C-H center dot center dot center dot pi interactions, as well as stacking interactions involving the 2-(2-pyridyl) benzimidazole ligands.

  DOI：

  10.1107/s0108270107055023