| 779311-39-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• CAS: 779311-39-6
• 化学式: C₁₃H₂₂N₄NiO₂
• 分子量: 325.033
• InChiKey: WROYAYZCQMOJNZ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  bis(acetylacetonate)nickel(II) 、 1,4,8,11-tetraazabicyclo[9.3.3]heptadecane-5,7-dione 以 乙腈 为溶剂， 以21%的产率得到
  参考文献：
  名称：

  A new structurally constrained dioxocyclam ligand: synthesis, characterization and molecular structure comparison of its nickel(II) complex with the nickel(II) complex of dioxocyclam

  摘要：

  The structurally constrained dioxocyclam ligand, 1,4,8,11-tetraazabicyclo[9.3.3]heptadecacane-5,7-dione, H(2)dc3, was prepared by refluxing 1,3-propanediol di-p-tosylate with dioxocyclam. The corresponding Ni(II) complex, Ni(dc3), has been prepared and structurally characterized by X-ray crystallography. In addition, the structure of the dioxocyclam complex of Ni(II), Ni(dc), has been determined for comparison with Ni(dc3). In both cases, the Ni(II) sits in a square planar array of four nitrogens. However, the constraint imposed by the additional trimethylene strap in Ni(dc3) causes the Ni(II) to be farther out of the plane of the four nitrogens (0.089(1) Angstrom) than in Ni(dc) (0.039(1) Angstrom), resulting in a lower than expected ligand field strength for Ni(dc3). The arrangement of the three carbon straps and their potential to interact with the metal center are also discussed. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(99)00184-x