[Cu(4-fluorosalicylate)2(N,N-diethylnicotinamide)2(H2O)2] | 1334721-96-8

• 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: [Cu(4-fluorosalicylate)2(N,N-diethylnicotinamide)2(H2O)2]
• 英文别名: [CuA2B2(H2O)2]
• CAS: 1334721-96-8
• 化学式: C₃₄H₄₀CuF₂N₄O₁₀
• 分子量: 766.255
• InChiKey: RNRXUZYXBRNXAP-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：

  4-氟水杨酸 、 copper diacetate 、 尼可刹米 以 水 为溶剂， 生成 [Cu(4-fluorosalicylate)2(N,N-diethylnicotinamide)2(H2O)2]
  参考文献：
  名称：

  ESR and pH-potentiometric study of the mixed–ligand complex formation in the copper(II)–4-fluorosalicylic acid–N,N-diethylnicotinamide system: Structure and spectral properties of [Cu(4-fluorosalicylate)2(N,N-diethylnicotinamide)2(H2O)2] complex

  摘要：

  EPR simulation method together with pH-potentiometry combined with UV-Vis spectrophotometry were used for the study of the ternary system 4-fuorosalicylic acid (HA)-N,N-diethylnicotinamide (B)-copper(II) in aqueous solution. The N,N-diethylnicotinamide ligand is a weak donor, its mixed-ligand complexes with 4-fluorosalicylate anions are more favoured. The number of coordinated N,N-diethylnicotinamide molecules increases with decreasing temperature: up to four ones were detected in the coordination sphere of copper(II) in frozen solutions. The formation of [CuH(-1)AB(2)] and [CuH(-1)A] was detected by all methods at neutral pH. At lower pH values, [CuA(2)B(2)] and [CuB] become dominant, and this fact is in good agreement with [CuA(2)B(2)(H2O)(2)] crystals obtained from similar solutions. The structural unit of the [CuA(2)B(2)(H2O)(2)] complex consists of a copper(II) ion, which is monodentately coordinated by a pair of 4-fluorosalicylate anions and by a pair of N,N-diethylnicotinamide in trans positions in the basal plane, and by two water molecules in the axial positions of a tetragonal bipyramid. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.06.030