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
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.
引用
收藏
页码:667 / +
页数:17
相关论文
共 49 条
[1]   Intermolecular interactions of punicin derivatives [J].
Albrecht, Marcel ;
Gjikaj, Mimoza ;
Schmidt, Andreas .
TETRAHEDRON, 2010, 66 (35) :7149-7154
[2]   Luminescent metal-organic frameworks [J].
Allendorf, M. D. ;
Bauer, C. A. ;
Bhakta, R. K. ;
Houk, R. J. T. .
CHEMICAL SOCIETY REVIEWS, 2009, 38 (05) :1330-1352
[3]   Guest-Induced Emergent Properties in Metal-Organic Frameworks [J].
Allendorf, Mark D. ;
Foster, Michael E. ;
Leonard, Francois ;
Stavila, Vitalie ;
Feng, Patrick L. ;
Doty, F. Patrick ;
Leong, Kirsty ;
Ma, Eric Yue ;
Johnston, Scott R. ;
Talin, A. Alec .
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2015, 6 (07) :1182-1195
[4]  
[Anonymous], 2007, DIAMOND
[5]  
[Anonymous], 2005, TONTO-A System for Computational Chemistry
[6]   Folded conformations due to arene interactions in dissymmetric and symmetric butylidene-linker models based on pyrazolo[3,4-d]pyrimidine, purine and 7-deazapurine [J].
Avasthi, Kamlakar ;
Shukla, Lakshmi ;
Kant, Ruchir ;
Ravikumar, Krishnan .
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY, 2014, 70 :555-+
[7]   Intermolecular C-H•••π interactions in 1,5-diphenyl-3-(2-pyridyl)-2-pyrazoline [J].
Barcelo-Oliver, Miquel ;
Terron, Angel ;
Garcia-Raso, Angel ;
Lah, Nina ;
Turel, Iztok .
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY, 2010, 66 :O313-O316
[8]   Terminology of metal-organic frameworks and coordination polymers (IUPAC Recommendations 2013) [J].
Batten, Stuart R. ;
Champness, Neil R. ;
Chen, Xiao-Ming ;
Garcia-Martinez, Javier ;
Kitagawa, Susumu ;
Ohrstrom, Lars ;
O'Keeffe, Michael ;
Suh, Myunghyun Paik ;
Reedijk, Jan .
PURE AND APPLIED CHEMISTRY, 2013, 85 (08) :1715-1724
[9]   Experimental evidence for interactions between anions and electron-deficient aromatic rings [J].
Berryman, Orion B. ;
Johnson, Darren W. .
CHEMICAL COMMUNICATIONS, 2009, (22) :3143-3153
[10]   SYNTHESIS OF 2,2'-BIS-[5(H-4)-OXAZOLONES] [J].
CLEAVER, CS ;
PRATT, BC .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1955, 77 (06) :1544-1546