[Cu(pyridine-2,6-dicarboxylate)(3-(hydroxymethyl)pyridine)] | 362600-40-6

• 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: [Cu(pyridine-2,6-dicarboxylate)(3-(hydroxymethyl)pyridine)]
• CAS: 362600-40-6
• 化学式: C₆H₇NO*C₇H₃NO₄*Cu
• 分子量: 337.779
• InChiKey: XHQVQPSUFHJASI-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -1.62
• 重原子数：
  21.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  126.27
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  3-吡啶甲醇 、 吡啶-2,6-二甲酸 、 copper(II) acetate monohydrate 以 水 为溶剂， 生成 [Cu(pyridine-2,6-dicarboxylate)(3-(hydroxymethyl)pyridine)]
  参考文献：
  名称：

  Three new pyridine-2,6-dicarboxylate copper(II) compounds with coordinated pyridine-based ligands: Synthesis, characterisation and crystal structures

  摘要：

  Three new Cu(II) compounds of pyridine-2,6-dicarboxylic acid (H(2)pdc) with meta-substituted pyridines as additional ligands have been synthesized and structurally characterised using X-ray diffraction. Two of them are mononuclear compounds, i.e. [(Cu(pdc)(3acpyr)(H2O)] (1) (3acpyr = 3-acetylpyridine) and [Cu(pdc)(3HOp)(H2O)](H2O)(2) (2) (3HOp = 3-hydroxypyridine). The third compound is polynuclear, i.e. [Cu(pdc)(mu-3HOmp-kappa N,O)](n) (3) (3HOmp = 3-(hydroxymethyl)pyridine). The three compounds are also characterised by IR, EPR and ligand field spectroscopy. The geometry around the Cu(II) ions is distorted square pyramidal for compounds 1 and 2 and distorted octahedral for compound 3. The lattice of compound 1 is organised by an intra-sheet hydrogen-bond pattern generating double layers. Compound 2 has a lattice arranged by the two water molecules in the lattice with complicated 2D O-H center dot center dot center dot O intra-sheet hydrogen bonding motifs.The zig-zag chains in compound 3 are further organised in layers, due to the axial coordination at Cu(II), forming a so-called (4, 3) ladder-like one-dimensional coordination polymer. These ladders are interconnected by hydrogen bonding. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.07.017