[Cu(3-iodopyridine)(methylmalonate(2-))(H2O)] | 1175064-90-0

• 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(3-iodopyridine)(methylmalonate(2-))(H2O)]
• CAS: 1175064-90-0
• 化学式: C₄H₄O₄*C₅H₄IN*Cu*H₂O
• 分子量: 402.633
• InChiKey: GAGHLPGJTIJAIV-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -2.02
• 重原子数：
  17.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  124.65
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  3-碘吡啶 、 copper(II) methylmalonate 、 水 以 甲醇 、 水 为溶剂， 以60%的产率得到[Cu(3-iodopyridine)(methylmalonate(2-))(H2O)]
  参考文献：
  名称：

  Copper(II)-methylmalonate complexes with unidentate N-donor ligands: Syntheses, structural characterization and magnetic properties

  摘要：

  Two new methylmalonate-bridged copper(II) complexes with the formulas [Cu(3-Ipy)(Memal)(H2O)] (1) and [Cu(2,4'-bpy)(Memal)(H2O)] center dot 3H(2)O (2) [Memal = methylmalonate dianion, 3-Ipy = 3-iodopyridine, 2,4'-bpy = 2,4'-bipyridine] have been synthesized and characterized by X-ray diffraction. Both compounds crystallize in the monoclinic space group P2(1)/n and Z = 4, with unit cell parameters a = 8.5874(13)angstrom, b = 7.1738(14)angstrom, c = 19.093(5)angstrom, beta = 99,509(15)degrees in 1 and a = 17.375(4)angstrom, b = 7.3305(14)angstrom, c = 14.247(3)angstrom, beta = 111.409(15)degrees in 2. The structures of 1 and 2 consist of zigzag chains of anti-syn carboxylate-bridged copper(II) ions running along the b direction. The pyridine-like ligands occupy one equatorial position of the copper environment avoiding the formation of the sheet-like arrangement observed in previously reported Memal complexes. The chains are grouped together in hydrophilic layers through hydrogen bonds and the layers are pillared through the 3-Ipy (1) and 2,4'-bpy (2) ligands which are stacked through pi-pi interactions involving alternatively aromatic ligands from two adjacent chains. Magnetic susceptibility measurements of both compounds in the temperature range 2-290 K show the occurrence of intrachain ferromagnetic interactions between the copper(II) ions [J = +2.66(2) cm(-1) (1) and J = +2.62(2)cm(-1) (2)]. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2008.12.011