hydroxotriphenyltin 2,6-bis(1H-benzimidazol-2-yl)pyridinehydrate | 244262-03-1

• 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: hydroxotriphenyltin 2,6-bis(1H-benzimidazol-2-yl)pyridinehydrate
• CAS: 244262-03-1
• 化学式: C₁₈H₁₆OSn*C₁₉H₁₃N₅*H₂O
• 分子量: 696.395
• InChiKey: ZZWTYCKDZMPRAB-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  4.99
• 重原子数：
  45.0
• 可旋转键数：
  5.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  121.98
• 氢给体数：
  3.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  2,6-双(2-苯并咪唑基)吡啶 、 三苯基氢氧化锡 以 乙醇 为溶剂， 生成 hydroxotriphenyltin 2,6-bis(1H-benzimidazol-2-yl)pyridinehydrate
  参考文献：
  名称：

  Hydroxotriphenyltin 2,6-bis(1H-benzimidazol-2-yl)pyridine hydrate

  摘要：

  In hydroxotriphenyltin 2,6-bis(1H-benzimidazol-2-yl)pyridine hydrate (1/1/1), [Sn(C6H5)(3)(OH)]. C19H13N5.-H2O, the water molecule is hydrogen bonded to the hydroxo O atom, the two imino N atoms of the benzimidazolyls flanking the pyridine unit and one of the two amino N atoms of an adjacent N-heterocycle [O ... O = 2.680(5) Angstrom; O ... N = 2.831(5), 2.930(6) and 2.767 (6) Angstrom]. The hydrogen-bonding architecture gives rise to a two-dimensional network structure in which alternate N-heterocycles are stacked perpendicular to each other when the structure is viewed along the z axis. The organotin moiety shows tetrahedral coordination at tin.

  DOI：

  10.1107/s0108270199004072