bis[1,2-bis(4-hexylphenyl)ethanedione dioximato]nickel(II) | 943330-39-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: bis[1,2-bis(4-hexylphenyl)ethanedione dioximato]nickel(II)
• 英文别名: [Ni((C6)2dpg)2]
• CAS: 943330-39-0
• 化学式: C₅₂H₇₀N₄NiO₄
• 分子量: 873.842
• InChiKey: LJJXTPORHSKLDU-JUYADLCRSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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

• 作为产物：
  描述：

  nickel(II) chloride hexahydrate 、 盐酸羟胺 、 4,4'-dihexylbenzil 在 KOH 、 CH₃COOH 作用下， 以 乙醇 、 乙二醇 为溶剂， 以8%的产率得到bis[1,2-bis(4-hexylphenyl)ethanedione dioximato]nickel(II)
  参考文献：
  名称：

  Presence of edge-to-face aromatic interaction in bis[1,2-bis(4-alkylphenyl)ethanedione dioximato]nickel(II) complexes and evaluation of the fastener effect

  摘要：

  Bis[1,2-bis(4-methylphenyl)ethanedione dioximato]nickel(II), [Ni{(C-1)(2)dpg)(2)] (1), was found to exhibit shift in diffuse reflectance spectra from the corresponding non-methyl species. Characterization by X-ray crystal structural analysis on 1 and bis[1,2-bis(4-n-hexylphenyl)ethanedione dioximato]nickel(II), [Ni{(C-6)(2)dpg}(2)] (2), revealed the presence of the edge-to-face aromatic interactions caused by the electron-donating effect of the methyl and hexyl groups. The Ni(dPg)(2) units of complex 2 stack (staggered by 90 degrees) at alternate intervals of 3.151 angstrom and 3.253 angstrom. Thus, the shift in the d-p transition of 2 was found to contain 43% of the effect of the edge-to-face aromatic interaction, together with 57% of the reported fastener effect. (c) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2007.02.013