Crystal structure of (nitrato-κO)bis­(1,10′-phenanthroline-κ2N,N′)copper(II) nitrate gallic acid monosolvate monohydrate

Shen F.M.; Lush S.F.

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Crystal structure of (nitrato-κO)bis(1,10′-phenanthroline-κ2N,N′)copper(II) nitrate gallic acid monosolvate monohydrate

机译：硝酸（镓）-双（1,10'-菲咯啉-κ2N，N'）铜（II）硝酸没食子酸一水合物的晶体结构

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The title compound, [Cu(NO3)(C12H8N2)2]NO3·C7H6O5·H2O, consists of a mononuclear complex cation with the central CuII atom in a distorted trigonal–bipyramidal coordination sphere. Two N atoms of two 1,10-phenanthroline ligands occupy the axial sites, and the remaining N atoms of the two ligands, as well as one nitrate O atom the equatorial positions. One molecule each of gallic acid and water are present in the crystal as solvent molecules that do not coordinate to the CuII cation, just as the nitrate counter-anion. In the crystal, intermolecular O—H⋯O hydrogen bonds, as well as C—H⋯O interactions and π–π ring stacking between benzene and pyridine rings [centroid-to-centroid distances = 3.471 (2), 3.559 (2) and 3.790 (2) Å], link the molecules into a three-dimensional network structure.

机译：标题化合物[Cu（NO3）（C12H8N2）2] NO3·C7H6O5·H2O由单核络合阳离子和中心CuII原子组成，该原子位于扭曲的三角-双锥体配位球体内。两个1,10-菲咯啉配体的两个N原子占据轴向位点，两个配体的其余N原子以及一个硝酸盐O原子位于赤道位置。没食子酸和水各有一个分子作为溶剂分子存在于晶体中，该溶剂分子不与CuII阳离子配位，就像硝酸盐抗衡阴离子一样。在晶体中，分子间的O-H⋯O氢键以及苯与吡啶环之间的C-H O相互作用和π-π环堆积[质心间的距离= 3.471（2），3.559（2）和3.790（2）]，将分子链接成三维网络结构。

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《Acta Crystallographica Section E: Crystallographic Communications》 |2016年第11期|共4页
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Shen F.M.; Lush S.F.;
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Crystal structure of (nitrato-κO)bis­(1,10′-phenanthroline-κ2N,N′)copper(II) nitrate gallic acid monosolvate monohydrate

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Crystal structure of (nitrato-κO)bis(1,10′-phenanthroline-κ2N,N′)copper(II) nitrate gallic acid monosolvate monohydrate