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首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure and Hirshfeld surface analysis of (μ-2-{4-(carboxyl­atometh­yl)carbamo­ylbenz­amido}­acetato-κ2O:O′)bis­bis­(110-phenanthroline-κ2NN′)copper(II) dinitrate NN′-(14-phenyl­enedicarbon­yl)diglycine monosolvate octa­hydrate
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Crystal structure and Hirshfeld surface analysis of (μ-2-{4-(carboxyl­atometh­yl)carbamo­ylbenz­amido}­acetato-κ2O:O′)bis­bis­(110-phenanthroline-κ2NN′)copper(II) dinitrate NN′-(14-phenyl­enedicarbon­yl)diglycine monosolvate octa­hydrate

机译：（μ-2-{4-（羧基­甲基­基）氨基甲酰基苯ben酰胺基} ­乙酰基-κ2的晶体结构和Hirshfeld表面分析O：O）bis­ bis­（110-菲咯啉-κ2NN）铜（II）二硝酸盐NN-（14-苯撑二碳­基）二甘氨酸单溶剂化物八水合物

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摘要

The centrosymmetric binuclear complex cation of the title compound, [Cu2(C12H10N2O6)(C12H8N2)4](NO3)2·C12H12N2O6·8H2O, is composed of a CuII atom with a distorted trigonal–bipyramidal coordination environment defined by four N atoms from two bidentate 1,10-phenanthroline ligands and one oxygen atom from one-half of the monodentate N,N′-(1,4-phenyl­enedicarbon­yl)diglycinate anion. The asymmetric unit is completed by one-half of the N,N′-(1,4-phenyl­enedicarbon­yl)diglycine solvent mol­ecule, which is located on a centre of inversion, by one nitrate counter-anion and four water mol­ecules. In the crystal, the cationic complexes are linked via inter­molecular π–π stacking and through lone-pair⋯π inter­actions involving the N,N′-(1,4-phenyl­enedicarbon­yl)diglycinate anion and the phenanthroline ligands. The N,N′-(1,4-phenyl­enedicarbon­yl)diglycine solvent mol­ecule is involved in classical and non-classical hydrogen-bonding inter­actions, as well as π–π stacking inter­actions. The centroid-to-centroid distances between aromatic entities are in the range 3.5402 (5)–4.3673 (4) Å. The crystal structure is stabilized by further C—H⋯O contacts as well as by O—H⋯O and N—H⋯O hydrogen bonds between water mol­ecules, the nitrate anions, the N,N′-(1,4-phenyl­enedicarbon­yl)diglycinate ligands, N,N′-(1,4-phenyl­enedicarbon­yl)diglycine solvent mol­ecules and phenanthroline ligands, giving rise to a supra­molecular framework. A Hirshfeld surface analysis was carried out to qu­antify these inter­actions.
机译：标题化合物[Cu2（C12H10N2O6）（C12H8N2）4]（NO3）2·C12H12N2O6·8H2O的中心对称双核络合物阳离子由具有扭曲的三角-双锥体配位的Cu II 原子组成由两个二齿1,10-菲咯啉配体中的四个N原子和一个单齿N，N'-（1,4-苯二羰基）二甘氨酸阴离子的一半所定义的一个氧原子定义的环境。不对称单元由位于反转中心的N，N'-（1,4-苯基二烯基碳烷基）二甘氨酸溶剂分子的一半，一个硝酸盐抗衡阴离子和四个水分子组成。在晶体中，阳离子络合物通过分子间π-π堆积和涉及N，N'-（1,4-苯撑二碳烯基）二甘氨酸阴离子和菲咯啉配体的孤对π相互作用连接。 N，N'-（1,4-苯基二烯基碳烷基）二甘氨酸溶剂分子参与经典和非经典的氢键相互作用，以及π-π堆积相互作用。芳香实体之间的质心到质心的距离在3.5402（5）–4.3673（4）Å的范围内。晶体结构通过进一步的CH = O接触以及水分子，硝酸根阴离子，N，N'-（1,4-苯二羰基）之间的OH-O和NH-O氢键来稳定）二甘氨酸盐配体，N，N'-（1,4-苯二羰基）二甘氨酸溶剂分子和菲咯啉配体，形成了超分子骨架。进行了Hirshfeld表面分析以量化这些相互作用。

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