| 363610-12-2

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• CAS: 363610-12-2
• 化学式: C₁₆H₂₀CuN₄O₄S₂
• 分子量: 460.037
• InChiKey: WASBXHNBBCPSIX-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：

  2-甲硫基烟酸 、 copper(II) nitrate 、 乙二胺 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 以85%的产率得到
  参考文献：
  名称：

  Synthesis, spectral and magnetic properties, and crystal structures of copper(II)2-methylthionicotinate adducts with chelating ligands

  摘要：

  The synthesis and characterization of [Cu-2(2-MeSnic)(4)(H2O)(2)], [Cu(2MeSnic)(2)(en)], [Cu(en)(2)(H2O)(2)](2-MeSnic)(2) and [Cu-(dien)(H2O)(2)](2-MeSnic)(2) (where 2-MeSnic = 2-methylthionicotinate, en = ethylenediamine, dien = diethylenetriamine) is reported. The characterizations were based on elemental analysis, infrared, electronic and EPR spectra, and magnetic susceptibility measurements over a temperature range of 1.9-300 K. The available evidence supports a dimeric structure for [Cu-2(2-MeSnic)(4)(H2O)(2)] and for [Cu(en)(2)(H2O)(2)](2-MeSnic)(2) a tetragonal-bipyramidal environment about the copper(II) atom. The other two complexes were studied also by X-ray analysis. The [Cu(dien)(H2O)(2)(2-MeSnic)(2)] crystallizes in the monoclinic system. The copper(II) atom has a square-pyramidal arrangement, with three nitrogen atoms of the tridentate diethylenetriamine and one water molecule in the base of the pyramid, and the remaining water molecule occupies the apical position. The copper(II) atom deviates from the basal plane by 0.1164(5) Angstrom toward the water molecule in the apical position. The copper(II) atom in [Cu(2-MeSnic),(en)] is coordinated by two symmetry-dependent nitrogen atoms of ethylenediamine and by two pairs of non-equivalently coordinated carboxyl oxygen atoms of two symmetry-dependent 2-methylthionicotinates with Cu-O bond distances of 1.975(2) and 2.564(2) Angstrom, respectively, resulting in a highly distorted tetragonal-bipyramidal coordination. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(01)00757-4