catena-(acetato)(di-2-pyridylamine)-μ-nitrato-copper(II) | 132989-23-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: catena-(acetato)(di-2-pyridylamine)-μ-nitrato-copper(II)
• 英文别名: [Cu(2,2'-dipyridylamine)(acetate)(μ-NO3)](n)
• CAS: 132989-23-2
• 化学式: C₂H₃O₂*C₁₀H₉N₃*Cu*NO₃
• 分子量: 355.797
• InChiKey: PQMKQJBQUPTVNS-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.73
• 重原子数：
  22.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  144.14
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  catena-(acetato)(di-2-pyridylamine)-μ-nitrato-copper(II) 、 对硝基(苯)酚钾 以 甲醇 为溶剂， 以26.5%的产率得到[Cu(2,2'-dipyridylamine)(acetate)(p-nitrophenolate)
  参考文献：
  名称：

  Synthesis and crystal structure of some (2,2′-dipyridylamine)(carboxylato)(phenoxo)copper(II) complexes with rather unusual phenoxo ligands

  摘要：

  Some ternary Cu(dipyam)(OOCR)(OR) complexes (dipyam = 2,2'-dipyridylamine; RCOO- = acetate, benzoate, cmb (2-chloro-5-methylthio-benzoate), mta (methylthioacetate), min (2-methylthio-nicotinate); OR- = pnp (p-nitrophenolate), dcp (2,6-dichlorophenolate), tcp (2,4,6-trichlorophenolate)) have been synthesized. Their IR spectra are included and the X-ray diffraction structure is given for the crystals of [Cu(dipyam)(OOCCH3)(dcp)] (I), [Cu(dipyam)(mta)(dcp)] (II). [Cu(dipyam)(mtn)(dcp)] (III) and [Cu(dipyam)(cmb)(tcp)] (IV). The copper coordination is square pyramidal in 1, with a rather rare axial position of the phenolate ligand, while in II and III is distorted octahedral with equatorial phenolate and weak apical bonds (II Cl, S; III Cl, O). The copper coordination in IV can be better described as square planar, but with distortion toward a flattened tetrahedral geometry and with a rather long apical Cu-O distance, involving an oxygen of the carboxylate ion. The entrance of the phenolate in an axial or equatorial position is due to the geometry imposed to the complex by the auxiliary ligand. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(01)00571-0
• 作为产物：
  描述：

  2,2'-二吡啶胺 、 copper(II) nitrate trihydrate 、 sodium acetate 以 乙醇 、 水 为溶剂， 生成 catena-(acetato)(di-2-pyridylamine)-μ-nitrato-copper(II)
  参考文献：
  名称：

  Aduldecha, Sujittra; Hathaway, Brian, Acta Crystallographica, Section C: Crystal Structure Communications, 1991, vol. 47, p. 84 - 86

  摘要：

  DOI：