(.infin.)1[Cu(N,N,N',N'-tetramethyl-ethylenediamine)(2,5-dihydroxy-terephthalic acid(-2H))] | 1016989-41-5

• 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: (.infin.)1[Cu(N,N,N',N'-tetramethyl-ethylenediamine)(2,5-dihydroxy-terephthalic acid(-2H))]
• CAS: 1016989-41-5
• 化学式: C₆H₁₆N₂*C₈H₄O₆*Cu
• 分子量: 375.869
• InChiKey: MHERUGTWTUPZCA-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -2.07
• 重原子数：
  23.0
• 可旋转键数：
  5.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  127.2
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  Cu(acetylacetonate)(N,N,N',N'-tetramethylethylenediamine)BF4 、 2,5-二羟基对苯二甲酸 在 triethylamine 作用下， 以 甲醇 为溶剂， 生成 (.infin.)1[Cu(N,N,N',N'-tetramethyl-ethylenediamine)(2,5-dihydroxy-terephthalic acid(-2H))]
  参考文献：
  名称：

  One-dimensional and two-dimensional coordination polymers constructed from copper(II) nodes and polycarboxylato spacers: Synthesis, crystal structures and magnetic properties

  摘要：

  Four new coordination polymers were obtained by employing polycarboxylato spacers and cationic copper(II) complexes as nodes: 2(infinity)[Cu-3(trim)(2)(NH3)(6)(H2O)(3)] (1); 1(infinity)[Cu(tmen)(dhtp)] (2), 1(infinity)[Cu(tmen)(hitp)(H2O)] (3), 1[Cu(tmen)(nitp)] (4). (H(3)trim = trimesic acid, H(2)dhtp = 2,5-dihydroxy-terephthalic acid; H(2)hitp = 5-hydroxy-isophthalic acid, H(2)nitp = 5-nitro-isophthalic acid; tmen = N,N,N',N'-tetramethyl-ethylenediamine). The crystal structures of the four compounds have been solved. Compound 1 consists of 2D coordination polymers with heart-shaped meshes, while compounds 2-4 contain infinite zigzag chains. The role of the hydrogen bond interactions in sustaining the supramolecular solid-state architectures in compounds 1 and 3 is discussed. The cryomagnetic investigation of compounds 1, 2, and 4 reveals antiferromagnetic interactions between the copper ions. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2007.10.011