Crystal structure and Hirshfeld surface analysis of (μ-2-{4-[(carboxylatomethyl)carbamoyl]benzamido}acetato-κ2O:O′)bis[bis(1,10-phenanthroline-κ2N,N′)copper(II)] dinitrate N,N′-(1,4-phenylenedicarbonyl)diglycine monosolvate octahydrate

被引:12
作者
Pook, Niels-Patrick [1 ]
Adam, Arnold [1 ]
Gjikaj, Mimoza [1 ]
机构
[1] Tech Univ Clausthal, Inst Inorgan & Analyt Chem, Paul Ernst Str 4, D-38678 Clausthal Zellerfeld, Germany
来源
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2019年 / 75卷
关键词
crystal structure; copper(II) complex; N,N '-(1,4-phenylenedicarbonyl)diglycine; phenanthroline ligand; supramolecular interactions; Hirshfeld surface analysis; METAL-ORGANIC FRAMEWORKS; COORDINATION POLYMERS; INTERMOLECULAR INTERACTIONS; AROMATIC RINGS; COMPLEXES; NETWORKS; CARBONYL; DESIGN; LIGAND;
D O I
10.1107/S2056989019005164
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
The centrosymmetric binuclear complex cation of the title compound, [Cu-2(C12H10N2O6)(C12H8N2)(4)](NO3)(2)center dot C12H12N2O6 center dot 8H(2)O, is composed of a Cu-II 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 pi-pi stacking and through lone-pair center dot center dot center dot pi 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 pi-pi stacking interactions. The centroid-to-centroid distances between aromatic entities are in the range 3.5402 (5)-4.3673 (4) angstrom. The crystal structure is stabilized by further C-H center dot center dot center dot O contacts as well as by O-H center dot center dot center dot O and N-H center dot center dot center dot 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.
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页码:667 / +
页数:17
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