| 168563-07-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• CAS: 168563-07-3
• 化学式: Br*C₅H₄N₂O₂*Cu*H₂O
• 分子量: 285.564
• InChiKey: YUQRXKWHIUMBCZ-UHFFFAOYSA-M

反应信息

• 作为产物：
  描述：

  2-甲酸吡嗪 、 copper(I) bromide 以 乙醇 、 水 为溶剂， 生成
  参考文献：
  名称：

  Preparation and spectral characterization of copper(I) halide, nitrate and perchlorate complexes of pyrazinic acid and X-ray crystal structure of polymeric [Cu2(pyrazinic acid)2I2] · 3H2O

  摘要：

  Copper(I) salts formed with pyrazinic acid (pyz-H) complexes of the types Cu(pyz-H)(2)X . 2H(2)O for X = Cl or Br, Cu(pyz-H)X . H2O for X = Br, NO3 or ClO4 and Cu-2(pyz-H)(n) X(2) . 3H(2)O where n = 3 for X = Cl and n = 2 for X = I. The complexes were characterized by elemental analysis, IR and electronic spectra. The overall physical measurements suggest that pyz-H acts as a monodentate ligand in the Cu(pyz-H)(2)X . 2H(2)O complexes and as a N,O-bidentate neutral ligand in the hydrated 1:1 complexes, whereas Cu-2(pyz-H)(3)Cl-2 . 3H(2)O contains both types of acid molecules. The structure of the trihydrated copper(I) iodide complex of pyrazinic acid, as determined by X-ray crystallography, contains the asymmetric Cu-2(pyz-H)(2)I-2 . 3H(2)O units which are linked together forming a stair or ribbon polymeric structure with tetrahedral copper(I) environments. The two pyrazinic acid molecules in the asymmetric unit behave differently; one acid molecule acts as a neutral ligand whereas the other functions as a zwitterion. Both molecules, however, act as monodentate ligands. The neutral pyrazinic acid molecule forms hydrogen bonds with two water molecules and the zwitterion binds the third water molecule through a hydrogen bond of the type N-H ... O. The Cu-N distances are 2.053(4) and 2.064(5) Angstrom, the Cu-I bond lengths vary from 2.618(1) to 2.645(1) Angstrom, and the Cu-Cu distance within the cyclic Cu2I2 unit is 2.771(1) Angstrom.

  DOI：

  10.1016/0277-5387(94)00489-2