8-carboxyindeno[1,2-b]quinoxalin-11-one thiosemicarbazone | 929050-51-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 8-carboxyindeno[1,2-b]quinoxalin-11-one thiosemicarbazone
• CAS: 929050-51-1
• 化学式: C₁₇H₁₁N₅O₂S
• 分子量: 349.373
• InChiKey: KHUDPRSKULLUEQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.31
• 重原子数：
  25.0
• 可旋转键数：
  2.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  113.82
• 氢给体数：
  3.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  8-carboxyindeno[1,2-b]quinoxalin-11-one thiosemicarbazone 、 zinc(II) acetate dihydrate 、 二甲基亚砜 以 二甲基亚砜 为溶剂， 以80%的产率得到bis(μ-11-thiosemicarbazonoindeno[1,2-b]quinoxaline-8-carboxylato)bis(dimethyl sulfoxide)zinc(II) dimethyl sulfoxide trisolvate
  参考文献：
  名称：

  A novel 8-carboxyindeno[1,2-b]quinoxalin-11-one thiosemicarbazone zinc(II) Schiff base complex

  摘要：

  In the novel title binuclear zinc(II) Schiff base complex, bis(mu-11-thiosemicarbazonoindeno[ 1,2-b] quinoxaline-8-carboxylato) bis[(dimethyl sulfoxide) zinc(II)] dimethyl sulfoxide trisolvate, [Zn-2(C17H9N5O2S)(2)(C2H6OS)(2)]center dot 3C(2)H(6)OS, each Zn-II atom is five-coordinated and situated in a distorted square-pyramidal environment, coordinated by two L-2-ligands and one dimethyl sulfoxide molecule. Each L-2-ligand, which coordinates to two Zn-II atoms, has two parts. One part, acting in a tridentate chelating mode, coordinates to one Zn-II atom through two N atoms and one S atom, while another part coordinates to another Zn-II atom through a monodentate carboxylate group. The whole complex has a dimeric structure. The coordination mode of the nearly planar L-2-ligand is quite different from the most common mode for Schiff bases.

  DOI：

  10.1107/s0108270106027582