[Cu(acetate)₂(4-phenylpyridine)]₂ | 443128-28-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: [Cu(acetate)₂(4-phenylpyridine)]₂
• 英文别名: [Cu(MeCO₂)₂(4-Phpy)]₂；tetra-μ-acetato-κ2O:O'-bis[(4-phenyl-pyridine-κN)copper(II)]；Tetra-mu-acetato-kappa^2^O:O'-bis[(4-phenylpyridine-kappaN)copper(II)]；dicopper;4-phenylpyridine;tetraacetate
• CAS: 443128-28-7
• 化学式: C₃₀H₃₀Cu₂N₂O₈
• 分子量: 673.669
• InChiKey: WDEMIOGETYEHEC-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  0.52
• 重原子数：
  42
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  186
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  [Cu(acetate)₂(4-phenylpyridine)₂(H₂O)₂] 反应 32.0h， 以71.7%的产率得到[Cu(acetate)₂(4-phenylpyridine)]₂
  参考文献：
  名称：

  Solvent-controlled formation of monomeric and dimeric species containing Cu(II) acetate and 4-phenylpyridine

  摘要：

  Three copper(II) acetate complexes with 4-phenylpyridine (4-Phpy), namely [Cu(MeCO2)(2)(4-PhPY)(2)(H2O)(2)] (1), [Cu(MeCO2)(2)(4-Phpy)(2)(H2O)(1.5)] (2) and [Cu(MeCO2)(2)(4-Phpy)](2) (3), were synthesized and characterized by analytical and spectroscopic methods. Experimental conditions as solvent or temperature determine the species obtained. Crystal and molecular structure of 2 was determined by Xray diffraction. Compound 2 presents a singular structure, containing two crystallographic independent mononuclear units [Cu(MeCO2)(2)(4-PhPY)(2)(H2O)(2)] (2A) and [Cu(MeCO2)(2)(4-PhPY)(2)(H2O)] (2B) in its unit cell and each of these forms an independent 1-D chain through H-bonding. (C) 2017 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2017.06.049

文献信息

• Tetra-μ-acetato-κ²<i>O</i>:<i>O</i>′-bis[(4-phenylpyridine-κ<i>N</i>)copper(II)]
  作者：Ming-Liang Tong、Wei Li、Xiao-Ming Chen、Shao-Liang Zheng、Seik Weng Ng

  DOI：10.1107/s0108270102002962

  日期：2002.4.15

  The title compound, [Cu-2(C2H3O2)(4)(C11H9N)(2)]or [Cu-2(Me-CO2)(4) (phpy)(2)] (phpy is 4-phenylpyridine), consists of centrosymmetric dimers in which the Cu-II atoms display a square-pyramidal CuO4N coordination, with four acetate O atoms in the basal plane [Cu-O 1.975 (3)-1.987 (3) Angstrom] and the phpy N atom in the apical position [Cu-N 2.150 (3) Angstrom]. The Cu atoms are 2.654 (1) Angstrom apart and are bridged by four acetate groups. The discrete dimers are extended into a three-dimensional supramolecular array through intermolecular pi-pi-stacking interactions.