| 1403935-24-9

• CAS: 1403935-24-9
• 化学式: C₃H₇NO*C₅H₅NO₄S*Cu
• 分子量: 311.806
• InChiKey: UTXBVUJGQAEJID-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -3.78
• 重原子数：
  17.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  112.6
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  copper(II) perchlorate hexahydrate 、 噻唑烷-2,4-二羧酸 、 N,N-二甲基甲酰胺 以 甲醇 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  Solvent induced conformational transformation of helical chains in new copper(II) coordination polymers

  摘要：

  Two isomeric copper-containing coordination polymers, which are constructed from chiral ligand thiazolidine 2,4-dicarboxylic acid (H2L), have been synthesized with the same formula of [CuL(DMF)](n) (1 and 1'). Complex 1 was prepared through the reaction of H2L and Cu(ClO4)(2) 6H(2)O in the mixture of N,N-dimethylformamide (DMF) and methanol (V/V=1:1). With the same reactants 1' was obtained only using DMF as solvent. Single-crystal X-ray diffraction analysis exhibited that 1 is left-handed helical chain and crystallizes in chiral space group P2(1)2(1)2(1), while 1' is right-handed helix with chiral and polar space group P2(1). In addition, both coordination polymers show obvious chiral and non-linear optical (NLO) properties, which were characterized by circular dichroism (CD) and second harmonic generation (SHG) measurements. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2012.07.026