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Supramolecular Properties Directed by Weak Interactions in a Copper (II) Complex Based on 8-Hydroxy Quinoline-Pyridine Binary Ligand Systems: Crystal Structure and Hirshfeld Surface Analyses

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Abstract

The neutral Cu(II) complex [Cu(O,N-Q)2(N-4-MePy)2] (1) harvested from 8-hydroxy quinoline (8HQ) and 4-methyl pyridine (4-MePy) has been synthesized and structurally characterized. Single-crystal X-ray diffraction analysis reveals that 1 exhibits slightly distorted octahedral geometry and O–H···O hydrogen bonds link the asymmetric units forming an infinite chain geometry of C(6) graph-set-motif along with significant C–H···π and π···π stacking interactions revealing an interesting supramolecular packing assembly. A study of dnorm, shape index (S), curvedness (C) based Hirshfeld surfaces (HSs) and two-dimensional fingerprint (FP) plots at the molecular and atomic level quantify significant intermolecular contacts experienced by the neutral copper complex and the nature of ligand coordination to the metal centre. From molecular HS analysis and 2D FP plots, it was observed that C···H/H···C (33.9%) and H···H interactions (55.1%) have the major contribution compared to overall non-covalent interactions. The contribution of O···H/H···O (4.3%) and C···C (3.8%) contacts are minimum, but these interactions play vital role in the direction and organization of crystal packing.

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This manuscript outlines the impact of weak intermolecular interactions found in metal-based supramolecular assemblies.

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Acknowledgements

The author is grateful to the Prof. Kumaresh Ghosh, Department of Chemistry, University of Kalyani, Nadia, India for IR and UV-Vis spectral analysis.

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Authors and Affiliations

  1. Department of Chemistry, Bineswar Brahma Engineering College, Kokrajhar, 783370, Assam, India

    Tirtha Bhattacharjee

  2. Department of Chemistry, Government Degree College, Dharmanagar, 799253, Tripura, India

    Suman Adhikari

  3. Department of Inorganic and Structural Chemistry, Howard University, Washington D.C., 20059, USA

    Raymond J. Butcher

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Bhattacharjee, T., Adhikari, S. & Butcher, R.J. Supramolecular Properties Directed by Weak Interactions in a Copper (II) Complex Based on 8-Hydroxy Quinoline-Pyridine Binary Ligand Systems: Crystal Structure and Hirshfeld Surface Analyses. J Chem Crystallogr 52, 422–433 (2022). https://doi.org/10.1007/s10870-021-00903-3

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