[Co(isonicotinamide)2(1,2-cyclohexanedionedioximato)2](PF6)*H2O*CH3OH | 1321917-38-7

• 英文名称: [Co(isonicotinamide)2(1,2-cyclohexanedionedioximato)2](PF6)*H2O*CH3OH
• 英文别名: [Co(NioxH)2(Inia)2](PF6)*H2O*CH3OH
• CAS: 1321917-38-7
• 化学式: CH₄O*C₂₄H₃₀CoN₈O₆*F₆P*H₂O
• 分子量: 780.567
• InChiKey: YBCJWOMENWYJNF-WGNPKFCASA-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：

  六氟磷酸钾 、 甲醇 、 cobalt(II) chloride hexahydrate 、 1,2-环已二酮二肟 、 4-吡啶甲酰胺 在 sodium acetate trihydrate 作用下， 以 甲醇 为溶剂， 生成 [Co(isonicotinamide)2(1,2-cyclohexanedionedioximato)2](PF6)*H2O*CH3OH
  参考文献：
  名称：

  Synthesis and structure of cobalt α-dioximate complexes with isonicotinamide

  摘要：

  New cobalt trans-dioximate complexes with isoniconinamide have been synthesized: [Co(II)(DmgH)(2)(Inia)(2)] (I), [Co(III)(DmgH)(2)(Inia)(2)][PF(6)] center dot 1.5H(2)O (II), [Co(III)(NioxH)(2) (Inia)(2)][PF(6)] center dot H(2)O center dot CH(3)OH (III), and [Co(III)Cl(DmgH)(2)(Inia)] center dot H(2)O (IV), where DmgH(-) and NioxH(-) are the dimethylglyoxime and 1,2-cyclohexanedionedioxime monoanions, respectively; Inia is the isonicotinamide molecule. The structures of compounds I-IV have been determined by X-ray crystallography. In I-IV, Co(II) or Co(III) has an octahedral environment with the pseudomacrocyclic (DioxH(-))(2) moiety (DioxH(-) is the dioximate monoanion) in the equatorial plane. The latter is stabilized by O-H center dot center dot center dot O hydrogen bonds. The isonicotinamide molecules in all four complexes are monodentately bound to the metal ion through the heterocyclic nitrogen atom.

  DOI：

  10.1134/s0036023611070060