Albanez Joselyn, Brito Iván, Cárdenas Alejandro, López-Rodríguez Matías
Acta Crystallogr Sect E Struct Rep Online. 2012 Apr 1;68(Pt 4):m498-9. doi: 10.1107/S1600536812012378. Epub 2012 Mar 31.
The title compound, Cu(C(5)H(3)N(2)O(2))(0.88)(C(6)H(4)NO(2))(1.12), is characterized by disorder of the anion, resulting from a statistical occupation in a 0.44 (3):0.56 (3) ratio of pyrazine-2-carboxylate and pyridine-2-carboxylate. The compound was isolated during attempts to synthesize a mixed-ligand coordination polymer by solvothermal reaction between copper(II) nitrate and equimolar mixtures of pyrazine-2-carboxylic acid and pyridine-2-carb-oxy-lic acid in a mixture of water and EtOH. The difference in the two components of the compound is due to substitutional disorder of a CH group for one of the N atoms of the pyrazine ring which share the same site in the structure. In the crystal structure, the Cu(II) atom lies on an inversion centre and is six-coordinated in a distorted N(2)O(4) geometry. The carboxyl-ate group carbonyl O atoms are weakly coordinated to an equivalent Cu(II) atom that is translated one unit cell in the a-axis direction, thus forming a polymeric chain through carboxyl-ate bridges.
标题化合物[Cu(C₅H₃N₂O₂)₀.₈₈(C₆H₄NO₂)₁.₁₂]ₙ的特征在于阴离子的无序性,这是由于吡嗪 - 2 - 羧酸盐和吡啶 - 2 - 羧酸盐以0.44 (3):0.56 (3)的比例进行统计占位所致。该化合物是在尝试通过硝酸铜与吡嗪 - 2 - 羧酸和吡啶 - 2 - 羧酸的等摩尔混合物在水和乙醇的混合物中进行溶剂热反应合成混合配体配位聚合物的过程中分离得到的。该化合物两种组分的差异是由于吡嗪环中一个氮原子被一个CH基团取代导致的无序性,它们在结构中占据相同位置。在晶体结构中,Cu(II)原子位于一个对称中心上,以扭曲的N₂O₄几何构型进行六配位。羧酸根基团的羰基氧原子与一个沿a轴方向平移一个晶胞的等效Cu(II)原子弱配位,从而通过羧酸根基桥形成聚合物链。