[Ni(4-(1H-1,3-benzimidazol-2-yl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)2ClO4]ClO4 | 1342309-82-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: [Ni(4-(1H-1,3-benzimidazol-2-yl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)2ClO4]ClO4
• CAS: 1342309-82-3
• 化学式: C₃₆H₃₂ClN₈NiO₆*ClO₄
• 分子量: 866.294
• InChiKey: RSZBOWBOYDMKJJ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  [Ni(4-(1H-1,3-benzimidazol-2-yl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)2ClO4]ClO4 以 neat (no solvent, solid phase) 为溶剂， 生成 nickel(II) oxide
  参考文献：
  名称：

  Synthesis and structural characterization of Ni(II) complexes containing a heterocyclic NO donor ligand

  摘要：

  Five novel nickel(II) complexes have been successfully synthesized with a heterocyclic ligand, Opdac, [Ni(Opdac)(2)]Cl-2 (1), [Ni(Opdac)(2)(CH3OH)(2)]Br-2(CH3OH)(2) (2), [Ni(Opdac)(2)]I-2 (3), [Ni(Opdac)(2)NO3]NO3 (4) and [Ni(Opdac)(2)ClO4]ClO4 (5) where Opdac = 4-(1-H-1,3-benzimidazole-2-yl)-1,5-dimethyl-2-phenyl-1-2-dihydro-3-H-pyrazol-3-one. All the complexes were characterized by elemental analysis, molar conductivity, CHN analysis, magnetic susceptibility measurements, spectroscopic studies and TG/DTA methods. In all the complexes, Opdac acts as a bidentate ligand coordinating to Ni(II) ion via the benzimidazole imine nitrogen and the pyrazolone oxygen atoms. The complexes 1 and 3 have a tetrahedral geometry while 2, 4 and 5 have an octahedral geometry around the Ni(II) center. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.08.013
• 作为产物：
  描述：

  nickel(II) perchlorate hexahydrate 、 4-(1H-benzimidazol-2-yl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one 以 乙酸乙酯 、 乙腈 为溶剂， 生成 [Ni(4-(1H-1,3-benzimidazol-2-yl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)2ClO4]ClO4
  参考文献：
  名称：

  Synthesis and structural characterization of Ni(II) complexes containing a heterocyclic NO donor ligand

  摘要：

  Five novel nickel(II) complexes have been successfully synthesized with a heterocyclic ligand, Opdac, [Ni(Opdac)(2)]Cl-2 (1), [Ni(Opdac)(2)(CH3OH)(2)]Br-2(CH3OH)(2) (2), [Ni(Opdac)(2)]I-2 (3), [Ni(Opdac)(2)NO3]NO3 (4) and [Ni(Opdac)(2)ClO4]ClO4 (5) where Opdac = 4-(1-H-1,3-benzimidazole-2-yl)-1,5-dimethyl-2-phenyl-1-2-dihydro-3-H-pyrazol-3-one. All the complexes were characterized by elemental analysis, molar conductivity, CHN analysis, magnetic susceptibility measurements, spectroscopic studies and TG/DTA methods. In all the complexes, Opdac acts as a bidentate ligand coordinating to Ni(II) ion via the benzimidazole imine nitrogen and the pyrazolone oxygen atoms. The complexes 1 and 3 have a tetrahedral geometry while 2, 4 and 5 have an octahedral geometry around the Ni(II) center. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.08.013