bis[6-methoxy-2-(4-octyloxy-2-hydroxybenzylideneamino)benzothiazole]copper(II) | 1360567-46-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: bis[6-methoxy-2-(4-octyloxy-2-hydroxybenzylideneamino)benzothiazole]copper(II)
• CAS: 1360567-46-9
• 化学式: C₄₆H₅₄CuN₄O₆S₂
• 分子量: 886.636
• InChiKey: AKBNEEXHERWDJR-DCESBERUSA-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

• 作为产物：
  描述：

  (E)-6-methoxy-2-(4-octyloxy-2-hydroxybenzylideneamino)benzothiazole 、 copper(II) acetate monohydrate 以 乙醇 为溶剂， 以75%的产率得到bis[6-methoxy-2-(4-octyloxy-2-hydroxybenzylideneamino)benzothiazole]copper(II)
  参考文献：
  名称：

  Synthesis, molecular structures and phase transition studies on benzothiazole-cored Schiff bases with their Cu(II) and Pd(II) complexes: Crystal structure of (E)-6-methoxy-2-(4-octyloxy-2-hydroxybenzylideneamino)benzothiazole

  摘要：

  Two new homologous series of Cu(II) and Pd(II) complexes with benzothiazole-cored Schiff bases have been synthesised with the aim to study the mesomorphic and thermal properties of ligands upon formation of metal complexes. The molecular structure of title compounds were elucidated with the employment of FT-IR, 1D and 20 FT-NMR spectroscopic techniques. Mesomorphic and thermal behaviour of title compounds have been investigated by differential scanning calorimetry and polarising optical microscope. All the ligands are nematogenic but the corresponding Cu(II) and Pd(II) complexes crystallised in ordinary solid. The conformation of 6-methoxy-2-(4-octyloxy-2-hydroxy-benzylideneamino)benzothiazole was determined by single crystal X-ray diffraction analysis of which the title compound favours more stable (E)-6-methoxy-2-(4-octyloxy-2-hydroxybenzylideneamino)benzothiazole. Crystal structure of the title compound also revealed that the bond length of C=N (1.303 angstrom) in the benzothiazole rings very close to that in the exocyclic C=N linkage (1.298 angstrom). (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2011.12.048