| 507486-42-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 507486-42-2；77405-25-5
• 化学式: C₂₆H₂₆N₄NiO₄S₂
• 分子量: 581.339
• InChiKey: KFKQTCZFVSLFCN-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：

  4-甲基-N-(2-吡啶基甲基)苯磺酰胺 在 triethyl amine 作用下， 以 苯 为溶剂， 生成
  参考文献：
  名称：

  Uhlig, Egon; Doering, Manfred, Zeitschrift fur Chemie, 1981, vol. 21, p. 73 - 74

  摘要：

  DOI：

文献信息

• 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/
  作者：Aileen Congreve、Ritu Kataky、Mark Knell、David Parker、Horst Puschmann、Kanthi Senanayake、Lisa Wylie

  DOI：10.1039/b206279h

  日期：2003.1.8

  The sixteen neutral ML2 complexes of Co, Ni, Cu and Zn(II) with the p-toluenesulfonamide and trifluoromethylsulfonamide derivatives of 2-aminomethylpyridine (L1, L2) and its 6-Me homologue (L3, L4) have been characterised by low temperature X-ray crystallography (100–120 K). Complexes of Co and Zn invariantly adopted a distorted tetrahedral geometry and whilst Cu(II) complexes of L2, L3 and L4 also took up a distorted tetrahedral geometry, that with L1 was square planar. A database survey of the distortion from limiting tetrahedral/square planar geometry has been carried out, aided by a simple geometric analysis. The trifluoromethylsulfonamide ligands (L2 and L3) were less basic, e.g. log K1 7.51(3) for L2vs. 12.23(6) for L1 (80% MeOH/H2O) and afforded a weaker ligand field, exemplified by the position of the visible d–d transition in Cu(II) complexes and the ease of reduction of the Cu(II) centre: E1//2 values (MeCN vs. Ag/AgCl) are −430, −137, +55 and −240 mV for Cu(L1)2, Cu(L2)2, Cu(L3)2 and Cu(L4)2. Ligand protonation and stepwise formation constants have been measured for L1–L3 and derived species distribution diagrams reveal that for complexes with L2 and L3, the predominant species present at pH 7.4 when zinc was in the nanomolar range was ZnL2.

  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。