(N,N'-bis(3-pyridylmethyl)piperazine)(terephthalate)copper(II) | 1044139-22-1

• 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: (N,N'-bis(3-pyridylmethyl)piperazine)(terephthalate)copper(II)
• CAS: 1044139-22-1
• 化学式: C₈H₄O₄*C₁₆H₂₀N₄*Cu
• 分子量: 496.025
• InChiKey: IZKPODIKLLOGAE-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  0.21
• 重原子数：
  33.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  112.52
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  对苯二甲酸 、 1,4-bis(3-pyridylmethyl) piperazine 、 copper(II) nitrate trihydrate 以 水 为溶剂， 以49%的产率得到(N,N'-bis(3-pyridylmethyl)piperazine)(terephthalate)copper(II)
  参考文献：
  名称：

  One- and two-dimensional copper benzenedicarboxylate coordination polymers incorporating the flexible tethering diimine N,N′-bis(3-pyridylmethyl)piperazine: Synthesis, structure, and thermal properties

  摘要：

  A family of three copper benzenedicarboxylate coordination polymers has been constructed using the ;conformationally flexible and hydrogen-bonding capable tethering ligand N,N,-bis(3pyridylmethyl) piperazine (3- bpmp). These three coordination polymers have been characterized via single crystal X-ray diffraction, infrared spectroscopy and elemental and thermogravimetric analysis. {[Cu(ph)(Hph)(H3-bpmp)(H2O)]center dot 3H(2)O} (1,ph = phthalate) manifests a 1-D chain motif held into a pseudo 3-D supramolecular structure through hydrogen bonding. While both {[Cu(ip)(3-bpmp)(H2O)] center dot 2H(2)O} (2, ip = isophthalate) and [Cu(tp)(3-bpmp)] (3, tp = terephthalate) exhibit 2- D (4,4) rhomboid grid- like layers, they possess different layer stacking patterns and supramolecular interactions due to coordination geometry variances. (C) 2008 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2008.02.040