| 265315-86-4

• 分子结构分类: 有机化合物
• CAS: 265315-86-4
• 化学式: C₁₇H₂₈CoN₅O₄*H₂O
• 分子量: 443.449
• InChiKey: YXPAQOBKKMYYRU-LORNORSTSA-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：

  、 苯胺 以 甲醇 、 水 为溶剂， 生成
  参考文献：
  名称：

  On an unusual shortening of the C(sp3)–C(sp3) bonds in n-propylcobaloximes

  摘要：

  The structures of two n-propyl cobaloximes, [(n-Pr)Co(Hdmg)(2)(L)]. H2O where L = H2O (6) and NH2Ph (7), and Hdmg = monoanion of dimethylglyoxime, are described. The large static disorder undergone by the n-propyl group is attributed to different conformations of n-Pr, differing in the torsional angle around the axial Co-L bond. This result contrasts with those reported for the anhydrous [(n-Pr)Co(Hdmg)(2)(H2O)] (1) derivative and its inclusion compound with alpha-cyclodextrin (2), where a significant lengthening of 0.16 Angstrom in the C alpha-C beta bond of n-Pr in 2, with respect to an incredibly short bond in 1, was attributed to the interaction of the cobaloxime with alpha-cyclodextrin. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(99)00476-4