mono(tetrabromo(hydroxy)technetium(VII)) mononitride | 134343-05-8

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: mono(tetrabromo(hydroxy)technetium(VII)) mononitride
• CAS: 134343-05-8
• 化学式: Br₄H₂NOTc
• 分子量: 449.545
• InChiKey: ATHBBNIZEWGQSG-UHFFFAOYSA-J

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

• 作为反应物：
  描述：

  mono(tetrabromo(hydroxy)technetium(VII)) mononitride 、 四乙基溴化铵 以 氢溴酸 为溶剂， 以82%的产率得到
  参考文献：
  名称：

  Preparation of the technetium(VI) aquanitrido complexes (NEt4)[TcNX4(OH2)] (X= Cl or Br). Crystal structures of (NEt4)[TcNBr4(OH2)] and Cs2[TcNCl5]

  摘要：

  Addition of NEt4X to a conc. HX solution of [TcNX4(OH2)]- (X = Cl or Br) yields crystals of (NEt4)[TcNX4(OH2)] (X = Cl (1) or Br (2)). Complex 2 crystallises in the orthorhombic space group Pnma with a = 11.366(1), b = 12.930(2), c = 11.540(1) angstrom and Z = 4. Refinement with 1434 data measured with Cu K-alpha radiation converged with R = 0.047. The complex anion has distorted octahedral geometry with a water molecule trans to the nitrido ligand (Tc = N 1.599(9) and Tc-OH2 2.443(7) angstrom). Crystals of Cs2[TcNCl5] (3) belong to the cubic space group Fm3BARm with a = 10.211(1) angstrom and Z = 4. The ligands of the complex anion are statistically disordered over six octahedral sites as required by the cubic space group. Refinement based on 78 data measured with Cu K-alpha radiation, and with a fixed Tc = N distance of 1.6 angstrom, converged with R = 0.034. In this model Tc is displaced 0.401(3) angstrom from the plane of the cis ligands towards the nitrido ligand with Tc-Cl(cis) = 2.373(5), Tc-Cl(trans) = 2.740(5) angstrom.

  DOI：

  10.1016/s0020-1693(00)85877-6
• 作为产物：
  描述：

  ammonium pertechnetate 在 HBr 、 NaN₃ 作用下， 以 水 为溶剂， 生成 mono(tetrabromo(hydroxy)technetium(VII)) mononitride
  参考文献：
  名称：

  Preparation of the technetium(VI) aquanitrido complexes (NEt4)[TcNX4(OH2)] (X= Cl or Br). Crystal structures of (NEt4)[TcNBr4(OH2)] and Cs2[TcNCl5]

  摘要：

  Addition of NEt4X to a conc. HX solution of [TcNX4(OH2)]- (X = Cl or Br) yields crystals of (NEt4)[TcNX4(OH2)] (X = Cl (1) or Br (2)). Complex 2 crystallises in the orthorhombic space group Pnma with a = 11.366(1), b = 12.930(2), c = 11.540(1) angstrom and Z = 4. Refinement with 1434 data measured with Cu K-alpha radiation converged with R = 0.047. The complex anion has distorted octahedral geometry with a water molecule trans to the nitrido ligand (Tc = N 1.599(9) and Tc-OH2 2.443(7) angstrom). Crystals of Cs2[TcNCl5] (3) belong to the cubic space group Fm3BARm with a = 10.211(1) angstrom and Z = 4. The ligands of the complex anion are statistically disordered over six octahedral sites as required by the cubic space group. Refinement based on 78 data measured with Cu K-alpha radiation, and with a fixed Tc = N distance of 1.6 angstrom, converged with R = 0.034. In this model Tc is displaced 0.401(3) angstrom from the plane of the cis ligands towards the nitrido ligand with Tc-Cl(cis) = 2.373(5), Tc-Cl(trans) = 2.740(5) angstrom.

  DOI：

  10.1016/s0020-1693(00)85877-6