| 219971-95-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• CAS: 219971-95-6
• 化学式: C₁₈H₁₂CuN₂O₅S
• 分子量: 431.916
• InChiKey: HWKMWIZRVKBHPD-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：
  None
• 环数：
  None
• 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：

  1,10-菲罗啉 、 2,5-噻吩二羧酸 、 copper dichloride 在 NaOH 作用下， 以 乙醇 、 水 为溶剂， 以32%的产率得到
  参考文献：
  名称：

  Synthesis, characterization and crystal structures of three diverse copper (II) complexes with thiophene-2,5-dicarboxylic acid and 1,10-phenanthroline

  摘要：

  Three copper(II) complexes with thiophene-2.5-dicarboxylic acid (H(2)Tda) and 1,10-phenanthroline (phen) ligands have been synthesized and structurally characterized: [Cu(Tda)(phen) (H2O)(2)]. 3H(2)O (1), [Cu(Tda) (phen)(2)]. 1/2H(2)Tda . 2H(2)O (2) and [(Cu(Tda)(phen) (H2O))(n)] (3). The Cu atom in all of the three complexes is in five coordinate, distorted square pyramidal environments. The thiophene-2,5-dicarboxylate molecule is monodentate in 1 and 2 in which the molecular structure is stabilized by intermolecular aromatic ring stacking interaction between the thiophene ring and the aromatic rings in the 1,10-phenanthroline molecule and hydrogen bondings. In 3 the thiophene-2,5-dicarboxylate ion is bis-monodentate and bridges the [Cu(phen)(H2O)] units to form a one-dimensional polymer. Complex 2 shows quasi-reversible one-electron redox of Cu2+/Cu+ at 0.001 V vs SCE. Coordination environments of copper(IT) in the reported complexes and stacking interactions in 1 and 2 are compared with those in the copper(II) site of galactose oxidase (GOase). (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(98)00234-4