(N,N-bis(3,5-dimethyl-2-hydroxybenzyl)-N-(2-pyridylmethyl)amine)(sulfato)correr(II)-methanol (1/1) | 1384273-56-6

• 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(3,5-dimethyl-2-hydroxybenzyl)-N-(2-pyridylmethyl)amine)(sulfato)correr(II)-methanol (1/1)
• CAS: 1384273-56-6
• 化学式: CH₄O*C₂₄H₂₈N₂O₂*Cu*O₄S
• 分子量: 568.15
• InChiKey: YYVJERLCBWDTJD-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  36.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  157.08
• 氢给体数：
  3.0
• 氢受体数：
  9.0

反应信息

• 作为产物：
  描述：

  N,N-bis(3,5-dimethyl-2-hydroxybenzyl)-N-(2-pyridylmethyl)amine 、 甲醇 、 copper(ll) sulfate pentahydrate 以 甲醇 为溶剂， 生成 (N,N-bis(3,5-dimethyl-2-hydroxybenzyl)-N-(2-pyridylmethyl)amine)(sulfato)correr(II)-methanol (1/1)
  参考文献：
  名称：

  A sulfate-bridged CuII complex with 1-D helical-chain structure: Synthesis, structure and magnetic property

  摘要：

  A new 1-D helical chain complex [Cu(H2L)(SO4)]center dot CH3OH (1) (H2L = N,N-bis(3,5-dimethyl-2-hydroxybenzyl)-N-(2-pyridylmethyl)amine) was synthesized from the reaction of the tripodal tetradentate ligand H2L with CuSO4 center dot 5H(2)O under solvothermal conditions. Complex 1 was fully characterized by X-ray single crystal diffraction, elemental analysis and IR spectroscopy. X-ray analysis revealed that complex 1 displays a 1-D helical chain structure with the two adjacent metals being bridged by a sulfate ion. Each Cu-II ion is penta-coordinated and exhibits a pseudo square pyramidal geometry. The low-temperature magnetic susceptibility measurement for the solid sample of 1 revealed the ferromagnetic Cu-II center dot center dot center dot Cu-II interactions. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2012.03.035