[copper(II)(N-(2-methylpyridyl)toluenesulfonylamidate)2] | 353248-11-0

• 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: [copper(II)(N-(2-methylpyridyl)toluenesulfonylamidate)2]
• 英文别名: copper;(4-methylphenyl)sulfonyl-(pyridin-2-ylmethyl)azanide
• CAS: 353248-11-0
• 化学式: C₂₆H₂₆CuN₄O₄S₂
• 分子量: 586.195
• InChiKey: CFUYDTDEPBQVEP-UHFFFAOYSA-N

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：

  copper diacetate 、 4-甲基-N-(2-吡啶基甲基)苯磺酰胺 以 甲醇 为溶剂， 生成 [copper(II)(N-(2-methylpyridyl)toluenesulfonylamidate)2]
  参考文献：
  名称：

  Examination of cobalt, nickel, copper and zinc(ii) complex geometry and binding affinity in aqueous media using simple pyridylsulfonamide ligandsElectronic supplementary information (ESI) available: experimental details for [M(L2)2], [M(L3)2] and [M(L4)2] (M = Zn, Cu, Ni, Co); species distribution plots. See http://www.rsc.org/suppdata/nj/b2/b206279h/

  摘要：

  使用低温度X射线晶体学(100-120 K)对16种Co, Ni, Cu和Zn(II)与p-甲苯磺酰胺和三氟甲基磺酰胺衍生物的2-氨基甲基吡啶(L1, L2)及其6-甲基类似物(L3, L4)的中性ML2络合物进行了表征。Co和Zn络合物的结构恒定为扭曲四面体几何结构,而Cu(II)络合物的L2, L3和L4也采用扭曲四面体几何结构,但与L1的络合物则是四方平面结构。利用简单的几何分析辅助,对偏离极限四面体/四方平面几何结构的扭曲进行了数据库调查。三氟甲基磺酰胺配体(L2和L3)的碱性较弱,例如L2的log K1值为7.51(3),而L1为12.23(6)(80%MeOH/H2O),并且产生了更弱的配体场,例如Cu(II)络合物中可见d-d跃迁的位置和Cu(II)中心还原的容易程度:E1//2值(MeCN vs. Ag/AgCl)分别为-430, -137, +55和-240 mV用于Cu(L1)2, Cu(L2)2, Cu(L3)2和Cu(L4)2。对L1-L3及其衍生物种的配体质子化和逐步生成常数进行了测量,所得物种分布图揭示,对于L2和L3的络合物,当锌浓度为纳摩尔范围时,pH 7.4下存在的主要物种是ZnL2。

  DOI：

  10.1039/b206279h

文献信息

• Influence of tetrahedral distortion of CuN4 complexes on spectroscopic properties. Synthesis, characterization and crystal structures of [Cu(N-(2-methylpyridyl)benzenesulfonylamidate)2], [Cu(N-(2-methylpyridyl)toluenesulfonylamidate)2] and [Cu(N-(2-methylpyridyl)naphthalenesulfonylamidate)2] compounds
  作者：Laura Gutierrez、Gloria Alzuet、Joaquı́n Borrás、Malva Liu-González、Francisco Sanz、Alfonso Castiñeiras

  DOI：10.1016/s0277-5387(01)00717-3

  日期：2001.4

  A series of new N-sulfonamide ligands and their copper(II) complexes, [Cu(N-(2-methylpyridyl)toluenesulfonylamidate)(2)] (1), [Cu(N-(2-methylpyridyl)benzenesulfonylamidate)(2)] (2) and [Cu(N-(2-methylpyridyl)naphthalenesulfonylamidate)(2)] (3), have been synthesized and characterized. Single crystal X-ray analysis of the three-complexes revealed that all of them present a tetracoordinate CuN4 chromophore. The ligands act as bidentate, coordinating the metal ion through the pyridine and sulfonamido N atoms. The main structural difference among the compounds is the varied degree of distortion of square-planar stereochemistry. Complex 1 exhibits a regular square-planar geometry. In complexes 2 and 3 the tetrahedrality values of 50.2 degrees and 39.0 degrees respectively indicate a strong distortion. EHMO calculations on idealized models show the correlation between the geometrical distortion and the spectroscopic properties. (C) 2001 Elsevier Science B.V. All rights reserved.