bis[1-(3-pyridyl)butane-1,3-dionato]copper(II) | 58927-18-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: bis[1-(3-pyridyl)butane-1,3-dionato]copper(II)
• CAS: 58927-18-7
• 化学式: C₁₈H₁₆CuN₂O₄
• 分子量: 387.882
• InChiKey: KMRVPAMKNWAQIB-UHFFFAOYSA-N

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：

  1-(3-吡啶)-1,3-丁二酮 、 copper(II) acetate monohydrate 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 以23%的产率得到bis[1-(3-pyridyl)butane-1,3-dionato]copper(II)
  参考文献：
  名称：

  Two-dimensional square-grid frameworks formed by self-associating copper(II) complexes with 1-(3-pyridyl)- and 1-(4-pyridyl)-substituted butane-1,3-diones

  摘要：

  In bis[1-(3-pyridyl) butane-1,3-dionato] copper(II) (the Cu atom occupies a centre of inversion), [Cu(C9H8NO2) 2], (I), and bis[1-(4-pyridyl) butane-1,3-dionato] copper(II) methanol solvate, [Cu(C9H8NO2)(2)]center dot CH3OH, (II), the O,O'-chelating diketonate ligands support square-planar coordination of the metal ions [Cu-O = 1.948 (1) -1.965 (1) angstrom]. Weaker (CuN)-N-... interactions [2.405 (2)-2.499 (2) angstrom], at both axial sides, occur between symmetry-related bis(1-pyridylbutane-1,3-dionato)copper(II) molecules. This causes their self-organization into two-dimensional square-grid frameworks, with uniform [6.48 angstrom for (I)] or alternating [4.72 and 6.66 angstrom for (II)] interlayer separations. Guest methanol molecules in (II) reside between the distal layers and form weak hydrogen bonds to coordinated O atoms [(OO)-O-... = 3.018 (4) angstrom].

  DOI：

  10.1107/s0108270106025339