[nickel(II)(2-(2-benzothiazolylamino)benzimidazole)(acetate)(methanol)2] | 910329-35-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: [nickel(II)(2-(2-benzothiazolylamino)benzimidazole)(acetate)(methanol)2]
• 英文别名: [nickel(II)(btz-bz)(OAc)(MeOH)2]
• CAS: 910329-35-0
• 化学式: C₁₈H₂₀N₄NiO₄S
• 分子量: 447.137
• InChiKey: OGYIMYWQAHEBFL-UHFFFAOYSA-M

计算性质

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

  甲醇 、 nickel(II) acetate tetrahydrate 、 2-(2-Benzimidazolylamino)-benzothiazole 以 甲醇 为溶剂， 以32%的产率得到[nickel(II)(2-(2-benzothiazolylamino)benzimidazole)(acetate)(methanol)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