首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >Disorder in the anionic part of catena-poly(pyrazine-2-carboxyl­ato)copper(II)-μ-pyrazine-2-carboxyl­ato
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Disorder in the anionic part of catena-poly(pyrazine-2-carboxyl­ato)copper(II)-μ-pyrazine-2-carboxyl­ato

机译:阳离子-((吡嗪-2-羧基carboxy杂)铜(II)-μ-吡嗪-2-羧基­杂的阴离子部分的紊乱

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摘要

The title compound, [Cu(C5H3N2O2)0.88(C6H4NO2)1.12]n, 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-carb­oxy­lic 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 CuII atom lies on an inversion centre and is six-coordinated in a distorted N2O4 geometry. The carboxyl­ate group carbonyl O atoms are weakly coordinated to an equivalent CuII atom that is translated one unit cell in the a-axis direction, thus forming a polymeric chain through carboxyl­ate bridges.
机译:标题化合物[Cu(C5H3N2O2)0.88(C6H4NO2)1.12] n的特征在于阴离子的无序,这是由于吡嗪-2-羧酸盐和吡啶的比例为0.44(3):0.56(3) -2-羧酸盐。在尝试通过在水和乙醇的混合物中硝酸铜(II)与吡嗪-2-羧酸和吡啶-2-羰氧基氧酸的等摩尔混合物之间进行溶剂热反应来合成混合配体配位聚合物的过程中,将化合物分离出来。该化合物的两种组分的差异是由于CH基团对吡嗪环的N个原子之一的取代无序,该N个原子在结构上具有相同的位点。在晶体结构中,Cu II 原子位于一个反转中心,并以扭曲的N2O4几何形状六配位。羧酸根的羰基O原子与一个等价的Cu II 原子弱配位,该原子在a轴方向平移一个晶胞,从而通过羧酸根桥形成聚合物链。

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