[Cu4(3,5-bis(2-pyridyl)pyrazolate)4(ClO4)4] * 2 H2O | 172994-60-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 英文名称: [Cu4(3,5-bis(2-pyridyl)pyrazolate)4(ClO4)4] * 2 H2O
• CAS: 172994-60-4
• 化学式: C₂₆H₁₈Cl₂Cu₂N₈O₈*H₂O
• 分子量: 786.491
• InChiKey: OOPDVFPVXMBONJ-UHFFFAOYSA-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：

  3,5-二(2-吡啶基)吡唑 、 copper(II) perchlorate hexahydrate 以 甲醇 为溶剂， 生成 [Cu4(3,5-bis(2-pyridyl)pyrazolate)4(ClO4)4] * 2 H2O
  参考文献：
  名称：

  Co-ordinative versatility of 3,5-bis(2-pyridyl)pyrazole in silver and copper compounds

  摘要：

  Two silver(I) and one copper(ii) complex with 3,5-bis(2-pyridyl) pyrazole (Hbpypz) have been synthesized and their molecular structures determined by X-ray crystallography. In the dinuclear complex [Ag-2(Hbpypz)(4)][ClO4](2) . 2Me(2)CO there are two crystallographically independent monomeric units linked by intramolecular hydrogen bonds. In each unit Hbpypz only uses two of its four nitrogen atoms, acting as a typical bidentate chelate ligand. In the polymeric complex {[Ag(Hbpypz)] ClO4}(infinity) each silver(I) ion is co-ordinated to three nitrogen atoms of two different Hbpypz molecules and each ligand in turn bridges two separate Ag atoms forming an infinite-chain structure of macrocations with non-interacting ClO4- anions. The tetranuclear complex [Cu-4(bpypz)(4)(ClO4)(4)]. 2H(2)O consists of two weakly associated dimeric units coupled via stacking between the pyridine and pyrazole rings with an average spacing of 3.50 Angstrom, which gives rise to charge-transfer absorption bands in the near-UV region. The temperature dependence of the ESR spectrum and magnetic susceptibility indicates the presence of an antiferromagnetic interaction in the system. While Hbpypz is strictly planar in the copper(ii) complex, a non-coplanar conformation is observed in both silver(I) complexes, indicative of the unique co-ordinative versatility of the pyrazole derivative.

  DOI：

  10.1039/dt9950004099