(n-C5H11)Co(dimethylglyoxime)2(H2O) | 60193-27-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (n-C5H11)Co(dimethylglyoxime)2(H2O)
• CAS: 60193-27-3
• 化学式: C₁₃H₂₇CoN₄O₅
• 分子量: 378.374
• InChiKey: KVDNJGNUIIZTTI-DVTASQICSA-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

• 作为反应物：
  描述：

  (n-C5H11)Co(dimethylglyoxime)2(H2O) 、 环糊精 以 水 为溶剂， 以52%的产率得到
  参考文献：
  名称：

  Formation and structure of inclusion complexes involving α-cyclodextrin and alkyl(aqua)cobaloxime

  摘要：

  A series of inclusion complexes involving alpha-cyclodextrin (alpha-cd) and alkyl(aqua)cobaloximes has been synthesized for the first time and characterized by elemental analysis, one and two-dimensional H-1 NMR spectroscopy. Their formation constants K-a were determined by quantitative H-1 NMR methods. The crystal structures of alpha-cd-[Co(Hdmg)(2)Pr-n(H2O)] (H(2)dmg = dimethylglyoxime) and its guest molecule [Co(Hdmg)(2)Pr-n(H2O)] were determined. According to both NMR and crystal structure data, 1:1 inclusion complexes of alpha-cd and alkylcobaloximes are formed, in which the alkyl groups of the guests are included into the cavity of alpha-cd. After formation of the inclusion complexes, variations in the bond lengths and angles around the cobalt atom, and conformation changes of the n-propyl(aqua)cobaloxime were observed. It is suggested that these changes in the guest molecule are probably due to the hydrophobic interaction between the alkyl groups and the alpha-cd cavities, and steric interaction between alpha-cd and Co(Hdmg)(2). It has also been established that the stability of the inclusion complexes in aqueous solution is related to the length and the size of the alkyl groups, the K-a values varying in the order n-C5H11 much greater than Bu(n) > Pr-n > Bu(i).

  DOI：

  10.1039/dt9960004425
• 作为产物：
  描述：

  chloropyridinecobaloxime(III) 、 1-溴戊烷 在 NaOH 、 NaBH₄ 作用下， 以 甲醇 、 水 为溶剂， 以60%的产率得到(n-C5H11)Co(dimethylglyoxime)2(H2O)
  参考文献：
  名称：

  Study on the intermolecular interactions of alkylcobaloxime complexes (RCo(dmgH)2L, dmgH=dimethylglyoxime, R=alkyl, L=H2O or pyridine)

  摘要：

  A series of alkylcobaloxime complexes, [RCo(dmgH)(2)L, where dmgH=dimethylglyoxime, R=alkyl, L=neutral monodentate axial ligand], i.e. (EtO2C)(2)C(Me)CH2Co(dmgH)(2)H2O(1), n-C5H11Co(dmgH)(2)H2O(2), Br(CH2)(4)Co(dmgH)(2)py(3) and Br(CH2)4Co(dmgH)(2)H2-O(4), have been synthesized and characterized. Analysis and comparison of their crystal packing structures with that of our previous reported complexes, COOCH3(CH2,)(2)Co(dmgH)(2)H2O(5) and c-C6H11Co(dmgH)(2)H2O(6), disclose that one-dimensional ribbon-like zigzag hydrogen bonded networks in 1, 2 and 4 are sustained and controlled by self-assembly between dimethylglyoxime and coordinated water through O-H center dot center dot center dot O- interactions. And the further fon-nation of different types of hydrogen bond linkages with the variation of the axial groups leads to creation of special 2D or 3D architectures. However, the crystal packing structure of 5 and 6 are absolutely different from 1, 2 and 4 due to conformational isomerism effect. Additionally, different types of the protons attachment at O-H center dot center dot center dot O- bridge are observed in 3 and 4, respectively, which is favorable to the intermolecular interactions. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2005.01.071