([Cu(gauche-1,2-bis(imidazol-1'-yl)ethane)0.5(anti-1,2-bis(imidazol-1'-yl)ethane)0.5(5-nitroisophthalic acid(-2H))])n | 952488-79-8

• 英文名称: ([Cu(gauche-1,2-bis(imidazol-1'-yl)ethane)0.5(anti-1,2-bis(imidazol-1'-yl)ethane)0.5(5-nitroisophthalic acid(-2H))])n
• CAS: 952488-79-8
• 化学式: C₈H₃NO₆*C₈H₁₀N₄*Cu
• 分子量: 434.855
• InChiKey: XYOOTZVCLMTFSN-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  1,1'-(1,2-ethanediyl)bis(imidazole) 、 copper(II) nitrate trihydrate 、 5-硝基异酞酸 在 KOH 作用下， 以 甲醇 、 水 为溶剂， 以29%的产率得到([Cu(gauche-1,2-bis(imidazol-1'-yl)ethane)0.5(anti-1,2-bis(imidazol-1'-yl)ethane)0.5(5-nitroisophthalic acid(-2H))])n
  参考文献：
  名称：

  Conformational isomerism of 1,2-bis(imidazol-1′-yl)ethane in five-coordination polymers: Influence of metal ions and m-isophthalate ligands bearing different substituents

  摘要：

  Four novel coordination polymers, {[Zn(gauche-bime)(bdc)]center dot 0.5H(2)O}(n) (1), {[Zn(anti-bime)(HO-bdc)]center dot 2.5H(2)O}(n) (2), [Cu(gauche-bime)(0.5)(anti-bime)(0.5)(O2N-bdc)](n) (4) and [Ni-2(gauche-bime)(anti-bime)(O2N-bdc)(2)(H2O)(2)](n) (5) were successfully prepared by the solvothermal reactions of 1,2-bis(imidazol-1'-yl)ethane (bime), m-isophthalic acid (H(2)bdc) or its two derivatives (HO-H(2)bdc = 5-hydroxyisophthalic acid, O2N-H(2)bdc = 5-nitroisophthalic acid) with different metal ions. Interestingly, bime in the four complexes exhibit different conformations owing to the synergetic influence of coexistent neutral (-H), electron-donating (-OH) or electron-withdrawing (-NO2,) groups of the dicarboxylate ligands and different metal ions. In 1 and 2, only one conformation of bime (gauche in I and anti in 2) is displayed, while the mixed conformations of bime (gauche:anti = 1: 1) are observed in 4 and 5. At the same time, one previously reported compound {[Zn(anti-bime)(O2N-bdc)]center dot H2O}(n) (3) as a comparable substance in the research system was also mentioned, in which the anti-conformation of bime was observed. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2007.04.043