[Cu(2-(N,2-pyridylmethyl)pyrazinecarboxamide(-H))(N3)] | 1361211-15-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: [Cu(2-(N,2-pyridylmethyl)pyrazinecarboxamide(-H))(N3)]
• 英文别名: [Cu(pzpy)(N3)]
• CAS: 1361211-15-5
• 化学式: C₁₁H₉N₄O*Cu*N₃
• 分子量: 318.785
• InChiKey: PIWMWLFNRBMISI-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.45
• 重原子数：
  20.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  128.54
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  copper(II) bis(trifluoromethanesulfonate) 、 N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide 、 sodium azide 在 三乙胺 作用下， 以 甲醇 为溶剂， 以69%的产率得到[Cu(2-(N,2-pyridylmethyl)pyrazinecarboxamide(-H))(N3)]
  参考文献：
  名称：

  Copper(I) and copper(II) complexes with pyrazine-containing pyridylalkylamide ligands N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide and N-(2-(pyridin-2-yl)ethyl)pyrazine-2-carboxamide

  摘要：

  Four copper(II) complexes and one copper(I) complex with pyridine-containing pyridylalkylamide ligands N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide (HLpz) and N-(2-(pyridin-2-yl)ethyl)pyrazine-2-carboxamide (HLpz') were synthesized and characterized. The X-ray crystal structures of [Cu-2(L-pz)(2)(4,4'-bipy)(OTf)(2)] (1, OTf=trifluoromethanesulfonate, 4,4'-bipy=4,4'-bipyridine) and [Cu(L-pz)(py)(2)]OTfH2O (2, py=pyridine) revealed binuclear and mononuclear molecular species, respectively, while [Cu(L-pz)((2)-1,1-N-3)](n) (3), [Cu(L-pz')((2)-1,3-N-3)](n) (4), and [Cu(HLpz)Cl](n) (5) are coordination polymer 1-D chains in the solid state.

  DOI：

  10.1080/00958972.2013.860451

文献信息

• Equilibrium and structural studies of copper(II) complexes with a tridentate ligand containing amide, pyrazyl and pyridyl nitrogen donors: Effect of anions coligands on crystal structures of copper(II) complexes
  作者：Aminou Mohamadou、Juliette Moreau、Laurent Dupont、Emmanuel Wenger

  DOI：10.1016/j.ica.2011.11.016

  日期：2012.3

  The stability constants of the Cu(II) chelates with the tridentate ligand 2-(N,2-pyridylmethyl)pyrazinecarboxamide (Hpzpy), determined by potentiometry UV-Vis and mass spectrometries, show the formation of [Cu(pzpy)](+), [Cu(pzpy)(OH)], [Cu(pzpy)(2)] and [Cu(pzpy)(2)(OH)] species (where pzpy is an amide-deprotonated ligand). In the solid state, the synthesis, crystal structures, and electronic and magnetic properties of three new Cu-II compounds containing the tridentate pzpy ligand with the general formula [Cu-II(pzpy) (L)(OH2)(x)] (where x = 1 for L = CH3CO2 and x = 0 for L = N-3 or NC-N-CN ) are reported. The geometries of the Cu-II ions are described as a five-coordinate slightly distorted square pyramidal monomeric compound [Cu(pzpy)(OH2)(CH3CO2)] (1) and polymeric complexes, [Cu(pzpy)(N-3)](n) (2) and [Cu(pzpy)(N(CN)(2))](n) (3). Polymerization for complex 2 comes from equatorial-apical bridges of the "naked'' pyrazine nitrogen atoms, while in compound 3, the copper centers were bridged by NC-N-CN anions. These three compounds have been characterized in details by infrared, ligand field and EPR spectroscopy; the data are consistent with the single-crystal X-ray structures. (C) 2011 Elsevier B. V. All rights reserved.