[Ni(1,2-dimethylimidazole)2(formate)2(H2O)2] | 919080-91-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: [Ni(1,2-dimethylimidazole)2(formate)2(H2O)2]
• CAS: 919080-91-4
• 化学式: C₁₂H₂₂N₄NiO₆
• 分子量: 377.02
• InChiKey: GPNISHHXBMHXMR-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：
  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：

  水 、 1,2-二甲基咪唑 、 nickel formate dihydrate 以 乙醇 为溶剂， 生成 [Ni(1,2-dimethylimidazole)2(formate)2(H2O)2]
  参考文献：
  名称：

  Heteroleptic nickel(II) complexes formed from N-donor bases, carboxylic acids and water: Magnetostructural correlations

  摘要：

  Nickel(II) complexes with the general formula [Ni(L-1)(2)(L-2)(2)(H2O)(2)], where L-1 = 2-methylimidazole (Meiz), 1,2-dimethylimidazole We(2)iz), iso-quinoline (iqu) and 4-furopyridine (fupy), L-2 = formate and acetate, have been prepared and characterized. The structures of four complexes [Ni(MeiZ)(2)(HCOO)(2)(H2O)(2)] (1), [Ni(Me(2)iz)(2)(HCOO)(2)(H2O2] (2), [Ni(iqu)(2)(CH3COO)(2)(H2O)(2)] (3) and [Ni (fupy)(2)(CH3COO)(2)(H2O)(2)] (4) were determined by X-ray diffraction methods. The chromophore of these compounds, {NiO2O'N-2(2)}, is formed by four oxygen atoms and two nitrogen atoms. The structures of complexes 2, 3 and 4 are formed by two-dimensional networks which consist of individual molecules linked together by O-(HO)-O-... hydrogen bonds from carboxylate groups to aqua ligands. In complex 1, the formation of a three-dimensional network is supplemented by N-(HO)-O-..., hydrogen bonds from the coordinated oxygen atom to the secondary nitrogen atom of an imidazole molecule from another unit. All complexes show magnetic behavior typical for zero-field splitting systems. The axial parameter of the zero-field splitting, D, adopts moderate-negative values and it correlates with the axial distortion of the coordination polyhedron. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2006.05.040