(pyridine-2-selenolato-Se,N)copper(I) | 220559-24-0

• 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: (pyridine-2-selenolato-Se,N)copper(I)
• 英文别名: [Cu(pySe)]
• CAS: 220559-24-0
• 化学式: C₅H₄NSe*Cu
• 分子量: 220.599
• InChiKey: QSXIHSPZKYPVLH-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.13
• 重原子数：
  8.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  12.89
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  铜 、 二(2-吡啶基)二硒醚 以 乙腈 为溶剂， 生成 (pyridine-2-selenolato-Se,N)copper(I)
  参考文献：
  名称：

  Electrochemical synthesis of copper and silver pyridine-2-selenolato complexes: crystal structure of (6-trimethylsilylpyridine-2-selenolato)silver(I), [Ag6(6-Me3SipySe)6]

  摘要：

  (Pyridine-2-selenolato-Se, N)copper(I) and silver(I) [Cu(pySe)] and [Ag(pySe)] and (6-trimethylsilylpyridine-2-selenolato-Se, N)copper(I) and silver(I), [Cu(6-Me(3)SipySe)] and [Ag-6(6-Me(3)SipySe)(6)], were obtained by electrochemical oxidation of metals in an acetonitrile solution of the corresponding dimer diselenide ligands. The crystal structure of (6-trimethylsilylpyridine-2-selenolato)silver(I) has been determined by X-ray diffraction. The [Ag-6(6-Me(3)SipySe)(6)] compound is an hexamer with the six silver atoms arranged in a distorted octahedral geometry; each silver atom is trigonally coordinated to one nitrogen and two selenium atoms of three different ligands. Crystal data: triclinic, P-1, a = 9.700(2), b = 14.441(3), c = 14.495(3) Angstrom, alpha = 109.25(3), beta = 104.97(3), gamma = 101.34(3)degrees, V = 1761.2(6) Angstrom(3), Z = 6, D-calc = 1.907 g cm(-3), R = 0.0305 for 2729 reflections. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(98)00280-1

文献信息

• Synthesis and X-ray Structures of a Series of Heteroleptic Selenites of Copper
  作者：Antonio Sousa-Pedrares、María Luz Durán、José Arturo García-Vázquez、Jaime Romero、Antonio Sousa、José A. Real

  DOI：10.1021/ic8019099

  日期：2009.5.4

  The reactions of [Cu(R-pySe)], R = H, 3-CF3, With 2,2'-bipyridine or 1,10-phenanthroline in acetonitrile yielded the one-dimensional complexes [Cu(SeO3)(phen)] center dot 2(H2O)}(n), 1, [Cu(SeO3)(bipy)]center dot 2(H2O)}(n), 2. Recrystallization of 1 and 2 from a 1:1 methanol/water mixture led to the formation of the dinuclear complexes [Cu(SeO3)(phen)(H2O)](2), 3, and [Cu(SeO3)(bipy)(H2O)](2), 4. Single crystal X-ray diffraction analysis revealed that 1 and 2 have a polymeric structure in which each oxygen atom of the selenite group coordinates to a copper atom. The two other coordination positions are occupied by two nitrogen atoms of the organic ligand, and this defines an almost square pyramidal geometry around the metal. Both compounds show a very weak antiferromagnetic coupling (J = -0.9 for I and -0.6 cm(-1) for 2). Compounds 3 and 4 consist of dinuclear species with the copper atoms lying in a square pyramidal geometry in which the selenite group acts as a bridge between two copper atoms and one oxygen atom is uncoordinated. The two copper ions in 3 show antiferromagnetic coupling with J = -22.1 cm(-1).