di(3-methyl-2-thiophene-caroxylato)di(nicotinamide)copper(II) | 1400191-59-4

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: di(3-methyl-2-thiophene-caroxylato)di(nicotinamide)copper(II)
• 英文别名: Cu(3-Me-2-tpc)₂(nia)₂
• CAS: 1400191-59-4
• 化学式: C₂₄H₂₂CuN₄O₆S₂
• 分子量: 590.14
• InChiKey: YHUUFQSSMKAIGE-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
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• 环数：
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• 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：

  3-甲基噻吩-2-羧酸 、 烟酰胺 、 copper(II) nitrate 以 乙腈 为溶剂， 反应 3.0h， 以74%的产率得到di(3-methyl-2-thiophene-caroxylato)di(nicotinamide)copper(II)
  参考文献：
  名称：

  Study of copper(II) thiophenecarboxylate complexes with nicotinamide

  摘要：

  The synthesis and characterization of [Cu(3-Me-2-tpc)(2)(nia)(2)] (1), [Cu(5-Me-2-tpc)(2)(nia)(2)] (2), [Cu(2-tpc)(2)(nia)(2)] (3) and [Cu(5-Me-2-tpc)(2)(nia)(2)(H2O)] (4) (where 2-tpc is 2-thiophenecarboxylate, 3-Me-2-tpc is 3-methyl-2-thiophenecarboxylate, 5-Me-2-tpc is 5-methyl-2-thiophenecarboxylate and nia is nicotinamide) are reported. The complexes under study were characterized by electronic, IR, EPR spectroscopy, magnetic susceptibility over the temperature range and X-ray structure analysis. The coordination arrangement around each copper(II) atom is a distorted tetragonal bipyramidal. The discrepancies between two Cu-O axial bond distances increases in the order: 0 angstrom (complex 1) < 0.050 angstrom (complex 3) < 0.209 angstrom (complex 2) < 0.516 angstrom (complex 4, Cu1) < 0.746 angstrom (complex 4, Cu2), indicating that in the same order a distortion of the respective tetragonal bipyramids increases. This is in a good agreement with the ligand field band position in their electronic spectra.The complex molecules of all compounds are connected through H-bonds into supramolecular chains or frameworks. Spectral and magnetic behaviours are discussed with regard to X-ray parameters. Small negative value of Weiss constants confirm an existence of a very weak antiferromagnetic interaction between Cu(II) magnetic center in the crystal lattice.The EPR parameters are typical for a tetragonal bipyramidal Cu(II) complexes. The g(av) values at r.t. are somewhat lower than those at 77 K. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.07.069