trans-bis(ethanolamine-N,O)bis(saccharinato-N)copper(II) | 332113-52-7

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: trans-bis(ethanolamine-N,O)bis(saccharinato-N)copper(II)
• 英文别名: bis(ethanolamine)bis(saccharinato) copper(II)；trans-bis(ethanolamine)bis(saccharinato)copper(II)；copper;2-aminoethanol;1,1-dioxo-1,2-benzothiazol-2-id-3-one
• CAS: 332113-52-7
• 化学式: C₁₈H₂₂CuN₄O₈S₂
• 分子量: 550.073
• InChiKey: PWDDXLMFUUGDRY-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -0.32
• 重原子数：
  33
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  214
• 氢给体数：
  4
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  tetraaquabis(saccharinato) copper(II) dihydrate 、 C.I.酸性橙108 以 甲醇 、 异丙醇 为溶剂， 以87%的产率得到trans-bis(ethanolamine-N,O)bis(saccharinato-N)copper(II)
  参考文献：
  名称：

  Saccharin complexes of Co(II), Ni(II), Cu(II), Zn(II), Cd(II) and Hg(II) with ethanolamine and diethanolamine: synthesis, spectroscopic and thermal characteristics. Crystal structures of [Zn(ea)2(sac)2] and [Cu2(μ-dea)2(sac)2]

  摘要：

  New mixed ligand Co(II), Ni(II), Cu(II), Zn(II). Cd(II) and Hg(II) complexes of saccharin (sac) with ethanolamine (ea) and diethanolamine (dea) were synthesized and characterized by elemental analyses, magnetic moments, UV-Vis and IR spectra. The Co(II)-ea, Co(II)-dea and Cu(Il)-dea complexes are dimeric, while all the other complexes of ea and dea are mononuclear. The crystal structures of [Zn(ea)(2)(sac)(2)] and [Cu-2(mu -dea)=(sac)(2)] complexes were determined by single crystal X-ray diffraction. In the Zn(II) complex, the Zn(II) ion sits on a center of symmetry and is octahedrally coordinated by two bidentate ea (N, O) and two monodentate sac (N) ligands. The centrosymmetric binuclear Cu(II) complex contains two strongly distorted square-planarly coordinated Ctl(II) ions bridged by two alkoxo groups of the deprotonated dea. The dea ligand also coordinates to the Cu(II) ions through its nitrogen, while the other ethanolic group does not involve in coordination. The saccharinate anion coordinates to the Cu(II) ion with its nitrogen. Thermal behavior of the complexes was studied using DTA and TG in nitrogen atmosphere. Endothermic degradation of the ea and dea ligands occurs in the first stages of decomposition and the sac anions decompose at higher temperatures to give corresponding metal oxides or metals. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(01)00930-5

文献信息

• <i>trans</i>-Bis(ethanolamine-<i>N</i>,<i>O</i>)bis(saccharinato-<i>N</i>)copper(II)
  作者：Veysel T. Yilmaz、Omer Andac、Yildiray Topcu、William T. A. Harrison

  DOI：10.1107/s0108270100019867

  日期：2001.3.15

  In the title complex, [Cu(C7H4NO3S)(2)(C2H7NO)(2)], the Cu-II centre lies on an inversion centre and exhibits octahedral coordination, with the two ethanolamine (Hea) and two saccharinate [sac; anionic 1,2-benzisothiazol-3(2H)-one 1,1-dioxide] ligands in a trans configuration. The bidentate Hea ligands bridge axial and equatorial positions and the sac anions occupy equatorial sites around the distorted octahedral copper(II) centre [Cu-O = 2.3263 (16), Cu-N-Hea = 1.9923 (16) and Cu-N-sac = 2.1776 (16) Angstrom].