[cobalt(II)(2-(2-aminobenzothiazolylamino)benzoxazole)2] | 910329-16-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 英文名称: [cobalt(II)(2-(2-aminobenzothiazolylamino)benzoxazole)2]
• 英文别名: [cobalt(II)(btz-boz)2]
• CAS: 910329-16-7
• 化学式: C₂₈H₁₆CoN₆O₂S₂
• 分子量: 591.599
• InChiKey: NHJOEYIQLCSKTJ-UHFFFAOYSA-N

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：

  cobalt(II) diacetate tetrahydrate 、 N-2-苯并噻唑基-2-苯并恶唑胺 以 甲醇 为溶剂， 以52%的产率得到[cobalt(II)(2-(2-aminobenzothiazolylamino)benzoxazole)2]
  参考文献：
  名称：

  Coordination compounds in a pentacyclic aromatic system from 2-aminobenzothiazole derivatives and transition metal ions

  摘要：

  Herein we report the syntheses and structural analyses of coordination compounds derived from 2-(2-benzothiazolylamino)benzothiazole, bis-btz (1), 2-(2-aminobenzothiazolylamino)benzoxazole, btz-boz (2) and 2-(2-benzothiazolylamino) benzimidazole, btz-bz (3). Ligands 1-3 are aromatic heterocycles prepared from 2-aminobenzothiazole that differ by the heteroatom (S, O, N) at position 12. These heterocycles were reacted with cobalt(II), nickel(II), and zinc(II) acetates; in addition, ligand I with mercury(II) acetate. The coordination compounds were characterized in the solid state by UV-Vis-NIR reflectance spectra, IR, X-ray diffraction and mass spectrometry. Unusual electronic spectra of Co2+ and Ni2+ compounds, indicated the participation of the metal ion in the ligand electronic delocalization. The N-H group was, in all cases, deprotonated and coordination to the metal ion occurs through the nitrogen atoms N(3) and N(13), forming a six-membered ring in a planar pentacyclic aromatic system. A distorted tetrahedral geometry is stabilized for ML2 complexes (M2+ = Co, Ni, Zn; L = 1-3) and for the (bis-btz)(2)Hg2+ compound, while nickel in [Ni(btz-bOZ)(2)(MeOH)] is square pyramidal and octahedral in [Ni(L)(OAc)(MeOH)(2)] (L = 1-3). Solid state structures showed 1D and 2D supramolecular arrangements. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2006.03.003