New Bis-Pyrazole-Bis-Acetate Based Coordination Complexes: Influence of Counter-Anions and Metal Ions on the Supramolecular Structures

Afaf Oulmidi, Smaail Radi, Haralampos N. Miras, Nayarassery N. Adarsh and Yann Garcia
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Afaf Oulmidi: LCAE, Department of Chemistry, Faculty of Sciences, University Mohamed I, BP 524, 60 000 Oujda, Morocco
Smaail Radi: LCAE, Department of Chemistry, Faculty of Sciences, University Mohamed I, BP 524, 60 000 Oujda, Morocco
Haralampos N. Miras: School of Chemistry, Joseph Black Building, University of Glasgow, Glasgow G12 8QQ, UK
Nayarassery N. Adarsh: School of Chemical Sciences, Mahatma Gandhi University, Kottayam 686560, Kerala, India
Yann Garcia: Institute of Condensed Matter and Nanosciences, Molecular Chemistry, Materials and Catalysis (IMCN/MOST), Université catholique de Louvain, 1348 Louvain-la-Neuve, Belgium

Sustainability, 2020, vol. 13, issue 1, 1-18

Abstract: A new flexible bis-pyrazol-bis-acetate ligand, diethyl 2,2’-(pyridine-2,6-diylbis (5-methyl-1H-pyrazole-3,1-diyl))diacetate ( L ), has been synthesised, and three coordination complexes, namely, [Zn( L ) 2 ](BF 4 ) 2 ( 1 ), [Mn L Cl 2 ] ( 2 ) and [Cd L Cl 2 ] ( 3 ) have been obtained. All ligands and complexes were characterised by IR, mass spectroscopy, thermogravimetric analysis and single-crystal X-ray diffraction. Single crystal X-ray diffraction experiment revealed that the primary supramolecular building block of 1 is a hexagonal chair shaped 0D hydrogen bonded synthon (stabilised by C–H∙∙∙O hydrogen bonding and C=O∙∙∙π interactions), which further built into a 2D corrugated sheet-like architecture having a 3-c net honeycomb topology, and finally extended to a 3D hydrogen bonded network structure having a five nodal 1,3,3,3,7-c net, through C–H∙∙∙F interactions. On the other hand, the two crystallographically independent molecules of 2 exhibited two distinct supramolecular structures such as 2D hydrogen bonded sheet structure and 1D zigzag hydrogen bonded chain, sustained by C–H∙O and C–H∙∙∙Cl interactions, which are further self-assembled into a 3,4-c network structure, and 3 showed a 2D hydrogen bonded sheet structure. The supramolecular structural diversity in these complexes is due to the different conformations adopted by the ligands, which are mainly induced by different metal ions with coordination environments controlled by different anions. Hirshfeld surface analysis was explored for the qualitative and quantitative analysis of the supramolecular interactions.

Keywords: organic synthesis; coordination chemistry; single crystal X-ray diffraction; Hirshfeld surface analysis (search for similar items in EconPapers)
JEL-codes: O13 Q Q0 Q2 Q3 Q5 Q56 (search for similar items in EconPapers)
Date: 2020
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