dichlorobis(1-phenylpyrazole-N(2))copper(II) | 110572-85-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: dichlorobis(1-phenylpyrazole-N(2))copper(II)
• 英文别名: copper;1-phenylpyrazole;dichloride
• CAS: 110572-85-5
• 化学式: C₁₈H₁₆Cl₂CuN₄
• 分子量: 422.804
• InChiKey: CCVGWLNRBFFUKY-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -2.25
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  35.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  copper(II) choride dihydrate 、 1-苯基吡唑 以 乙醇 为溶剂， 生成 dichlorobis(1-phenylpyrazole-N(2))copper(II)
  参考文献：
  名称：

  Investigations of Complexes of Copper(II) Chloride with Phenylpyrazoles

  摘要：

  The crystal structures of dichlorobis(3,5-diphenylpyrazole-N-2)copper(TI), [CuCl2(C15H12N2)(2)], (I), dichlorobis(5-phenylpyrazole-N-2)copper(II),[CuCl2(C9H8N2)(2)], (II), and dichlorobis(1-phenylpyrazole-N-2)copper(II [CuCl2(C9H8N2)(2)], (III), have been determined from X-ray diffraction data. There are significant differences in the coordination of the Cl- ions to the Cu2+ ion. The coordination of the Cu2+ ion is distorted square pyramidal in compounds (I) and (II), and distorted tetrahedral in (III). All available N-H groups form hydrogen bonds, which are intra- and intermolecular in (I), and intramolecular in (II). An N-H group in (I) forms a bifurcated hydrogen bond. Intermolecular intereactions between neighbouring molecules form dimers and chains in (I) and (II), respectively.

  DOI：

  10.1107/s0108270198008786