aquadi(o-sulfobenzimidato-N)di(nicotonoc acid)copper(II) | 344778-45-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: aquadi(o-sulfobenzimidato-N)di(nicotonoc acid)copper(II)
• CAS: 344778-45-6
• 化学式: C₂₆H₂₀CuN₄O₁₁S₂
• 分子量: 692.143
• InChiKey: MMQCFMSBPBHOEG-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  [Cu(sac)₂(H₂O)₄]*2H₂O 、 烟酰胺 以 水 为溶剂， 生成 aquadi(o-sulfobenzimidato-N)di(nicotonoc acid)copper(II)
  参考文献：
  名称：

  Outer-sphere coordination, N-coordination and O-coordination of the deprotonated saccharin in copper(II) saccharinato complexes. Implications for the saccharinato carbonyl stretching frequency

  摘要：

  Tetraaquabis(o-sulfobenzimidato-N)copper(II) reacts with neutral N-heterocycles to form complexes in which the o-sulfobenzimide (saccharin) entity interacts directly with the copper atom (through either the endocyclic nitrogen atom or the exocyclic oxygen atom) or indirectly, through coordinated water molecules. With 4-aminopyridine, it yields diaquatetrakis(4-aminopyridine)copper(II)di(o-sulfobenzimidate)dihydrate, whose metal atom shows trans-N4O2 octahedral coordination. The o-sulfobenzimidate anions interact with the copper atom through the coordinated water molecules, and they link with the lattice water molecules to furnish three-dimensional network architecture. The reagent when treated with pyrazole affords tetrakis(pyrazole)bis[1,2-benzisothiazolyl-3-olato 1,1-dioxide]copper(II); in this neutral compound, the metal atom and the o-sulfobenzimidate moieties are linked by covalent copper-oxygen bonds. The aqua complex with di-2-pyridylamine has the copper atom in a square-pyramidal configuration: one of the o-sulfobenzimidate ligands binds through its nitrogen atom whereas the other binds through the exocyclic oxygen atom in aqua(di-2-pyridylamine)[1,2-benzisothiazolyl-3-olato 1,1-dioxide](o-sulfobenzimidato-N)copper(II), which adopts a linear hydrogen-bonded chain motif. When treated with nicotinamide, tetraaquabis(o-sulfobenzimidato-N)copper(II) affords a monohydrated di(nicotinic acid) adduct, the amide group being oxidized to a carboxylic group. Tn this square-pyramidal complex, the molecules are linked by hydrogen bonds involving the two carboxylic acid ends into a linear chain that propagates along the a-e diagonal of the unit cell. The coordination mode of the o-sulfobenzimidate entities in the complexes is reflected in the stretching frequencies of the carbonyl groups, the respective band(s) being blue-shifted for N-coordination and red-shifted for O-coordination relatively to the o-sulfobenzimidate ions, leading to the frequency order N-coordinated > uncoordinated > O-coordinated. These shifts should be considered in vibrational frequency versus bond order correlations. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(01)00306-1