trans-diaquabis(2-fluorobenzato-O)-bis(isonicotinamide-N)copper(II) | 641630-76-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: trans-diaquabis(2-fluorobenzato-O)-bis(isonicotinamide-N)copper(II)
• 英文别名: copper(II)bis(isonicotinamide)bis(2-fluorobenzoate)；copper;2-fluorobenzoate;pyridine-4-carboxamide;dihydrate
• CAS: 641630-76-4
• 化学式: C₂₆H₂₄CuF₂N₄O₈
• 分子量: 622.041
• InChiKey: DENIVWFAFPRUDF-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -0.91
• 重原子数：
  41
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  194
• 氢给体数：
  4
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  bis(2-fluorobenzoato-O)-2-fluorobenzoic acid-O-bis(isonicotinamide-N)copper(II) 、 水 以 水 为溶剂， 生成 trans-diaquabis(2-fluorobenzato-O)-bis(isonicotinamide-N)copper(II)
  参考文献：
  名称：

  Directed assembly of dinuclear and mononuclear copper(ii)-carboxylates into infinite 1-D motifs using isonicotinamide as a high-yielding supramolecular reagent

  摘要：

  Isonicotinamide has been employed as a supramolecular reagent in the synthesis of five Cu(II) complexes, tetrakis(mu-acetato-O,O')-bis(isonicotinamide-N) dicopper(II) acetonitrile; trans-diaquabis(2-fluorobenzoato-O)-bis(isonicotinamide-N) copper(II), bis{bis(mu(2)-acetato-O)-acetic acid-O-bis(isonicotinamide-N) copper(II)} bis(methanol), bis(acetato-O)-acetic acid-O-bis(isonicotinamide-N) copper(II) acetic acid, bis(2-fluorobenzoato-O)-2-fluorobenzoic acid-O- bis(isonicotinamide-N) copper(II). The crystal structure determination of these compounds demonstrate that an effective supramolecular reagent can be combined with very different (chemically and structurally) inorganic building blocks and still create a family of inorganic-organic hybrid materials that all display the same principal supramolecular motifs; infinite 1-D chains. This consistency (which can be equated with a high supramolecular synthetic 'yield') has been achieved in the presence of several potentially disruptive (in a structural sense) molecules, e.g. water, methanol, and acetic acid. This illustrates that flexible or unpredictable coordination chemistry does not, in itself, necessarily prevent supramolecular synthesis using a reliable supramolecular reagent, in this case the structurally bifunctional isonicotinamide ligand.

  DOI：

  10.1039/b308446a