4-CNC6H4CH2Co(dmgH)2(H2O) | 57104-99-1

• 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: 4-CNC6H4CH2Co(dmgH)2(H2O)
• CAS: 57104-99-1
• 化学式: C₁₆H₂₂CoN₅O₅
• 分子量: 423.374
• InChiKey: LTIHXBMPLKBOGP-DVTASQICSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  吡嗪 、 4-CNC6H4CH2Co(dmgH)2(H2O) 以 甲醇 为溶剂， 以94%的产率得到[4-CNC6H4CH2Co(dmgH)2]2-μ-pyrazine
  参考文献：
  名称：

  Pyrazine bridged benzyl dicobaloximes: Competition between π-interaction and steric crowding in crystal structure

  摘要：

  Pyrazine (Pz) bridged benzyl dicobaloximes [ArCH2Co(dioxime)(2)](2)-mu-Pz [dioxime = dmgH, dpgH] have been synthesized and characterized with H-1 and C-13 NMR. The complexes have been synthesized by a simple procedure in one-pot directly from the corresponding benzyl aqua cobaloxime. In the crystal structure of [PhCH2Co(dpgH)(2)](2)-mu-Pz, two cobaloxime units are in eclipsed form whereas they were completely staggered in the reported [EtCo(dpgH)(2)](2)-mu-Pz. This is due to the pi-pi interaction between the axial benzyl group and phenyl ring of the equatorial dpgH group. Both cis and trans isomer crystallized together in the crystal structure of [PhCH2Co(dpgH)(dmgH)](2)-mu-Pz. The cyclic voltammetry study in [PhCH2Co(dioxime)(2)](2)-mu-Pz [dioxime = dmgH, dpgH] shows two cobalt center mixed together due to electron delocalization through pyrazine and behaves like a monocobaloxime and the reduction potentials are much higher than the monocobaloximes. (c) 2005 Elsevier B.V.. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2005.05.021