chromium(III) 2,2'-((ethane-1,2-diylbis(azaneylylidene))bis(methaneylylidene))diphenolate azide hydrate | 78556-88-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: chromium(III) 2,2'-((ethane-1,2-diylbis(azaneylylidene))bis(methaneylylidene))diphenolate azide hydrate
• CAS: 78556-88-4
• 化学式: C₁₆H₁₄N₂O₂*Cr*H₂O*N₃
• 分子量: 378.331
• InChiKey: UFQKAHYKSLOAHE-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  1.41
• 重原子数：
  25.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  161.04
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  chromium(III) 2,2'-((ethane-1,2-diylbis(azaneylylidene))bis(methaneylylidene))diphenolate azide hydrate 以 正丁醇 为溶剂， 以32%的产率得到[2,2'-(1,2-ethanediylbis(nitrilomethylidene))diphenolato-O,N,N',O']nitridochromium(V) nitromethane solvate
  参考文献：
  名称：

  The Improved Synthesis of [Cr(N)(salen)].CH₃NO₂

  摘要：

  In the title compound, {2,2'-[1,2- ethanediylbis(nitrilomethylidyne)]diphenolato-O,N,N',O'}nitridochromium(V) nitromethane solvate, [Cr(N)(C16H14N2O2)].-CH3NO2, the metal center is five-coordinated. The chromium-nitride bond length is 1.559(2) Angstrom, which is 0.04 Angstrom longer than in the analogous manganese(V) compound. The structure contains a co-crystallized nitromethane molecule, In line with its accepted weak donor properties, this solvent molecule does not interact with the coordinatively unsaturated metal center.

  DOI：

  10.1107/s0108270198000870