| 1151802-99-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• CAS: 1151802-99-1
• 化学式: C₇H₅O₂*C₁₀H₈N₂*NpO₂
• 分子量: 546.349
• InChiKey: FLSLZWTXTOWSHR-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.96
• 重原子数：
  24.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  100.05
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  以 neat (no solvent) 为溶剂， 生成 neptunium(IV) dioxide
  参考文献：
  名称：

  Synthesis and study of Np(V) and Pu(V) benzoate complexes with bipyridine

  摘要：

  Heteroligand compounds AnO(2)(bipy)OOCC6H5 (An = Np, Pu; bipy = alpha,alpha-bipyridine, C10H8N2) were synthesized and studied. It follows from powder X-ray patterns that these compounds are isostructural. Their unit cell parameters, determined by indexing of the powder X-ray patterns, are as follows: a = 9.2162 (7), b = 10.2339(8), c = 17.4083(17) angstrom, and beta = 96.48(1)degrees for Np and a = 9.1983(18), b = 10.2052(18), c = 17.370(3) angstrom and beta = 96.51(1)degrees for Pu. The compounds crystallize in the monoclinic system space group P2(1)/n, Z = 4. The electronic absorption spectra of crystalline compounds suggest pentagonal-bipyramidal surrounding of the central atom and the prescence of cation-cation bonds with AnO(2)(+) ions acting as monodentate ligands with respect to each other. The IR spectra of the compounds were recorded, and their thermal behavior in air was studied.

  DOI：

  10.1134/s1066362208020021
• 作为产物：
  描述：

  sodium benzoate 、 2,2'-联吡啶 、 neptunyl(V) nitrate 以 水 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and study of Np(V) and Pu(V) benzoate complexes with bipyridine

  摘要：

  Heteroligand compounds AnO(2)(bipy)OOCC6H5 (An = Np, Pu; bipy = alpha,alpha-bipyridine, C10H8N2) were synthesized and studied. It follows from powder X-ray patterns that these compounds are isostructural. Their unit cell parameters, determined by indexing of the powder X-ray patterns, are as follows: a = 9.2162 (7), b = 10.2339(8), c = 17.4083(17) angstrom, and beta = 96.48(1)degrees for Np and a = 9.1983(18), b = 10.2052(18), c = 17.370(3) angstrom and beta = 96.51(1)degrees for Pu. The compounds crystallize in the monoclinic system space group P2(1)/n, Z = 4. The electronic absorption spectra of crystalline compounds suggest pentagonal-bipyramidal surrounding of the central atom and the prescence of cation-cation bonds with AnO(2)(+) ions acting as monodentate ligands with respect to each other. The IR spectra of the compounds were recorded, and their thermal behavior in air was studied.

  DOI：

  10.1134/s1066362208020021