CHEMISTRY & MATERIALS SCIENCE
BAKU STATE UNIVERSITY JOURNAL of
CHEMISTRY & MATERIALS SCIENCE
ISSN: 3006-7073 (ONLINE);     
DETERMINATION OF INTERMOLECULAR INTERACTIONS OF NICOTINAMIDE COMPLEXES OF Ni(II) AND Zn(II) 4-FLOROBENZOATES BY HIRSHFELD SURFACE ANALYSIS
Received: 13-Dec-2023 Accepted: 18-Jun-2024 Published: 30-May-2024 Download PDF
Mustafa Sertçelik; Hacali Necefoğlu
Abstract
Hirshfeld Surface Analysis has been widely used in recent years to investigate intermolecular interactions. Fingerprint graphs allow for the quantitative analysis of intermolecular interaction types. In this study, Hirshfeld surface analyzes of complexes trans-Diaquabis(4-fluorobenzoato-κO)bis(nicotinamide-κN1)nickel(II) (Complex I) and Bis(4-fluorobenzoato-κ2O,O′)bis(nicotinamide-κN1)zinc(II) monohydrate (Complex II) were made with the help of CrystalExplorer 17.5 Program and dnorm maps, shape indices, curvature maps were obtained and intermolecular interaction percentages were determined by two-dimensional fingerprint graphics. The most important intermolecular interaction of all complexes is H ... H interactions. In addition, the dominant H ... O / O ... H interactions in the structure are thought to originate from the O-H ... O hydrogen bonds found in all crystal structures. The adjacent red-blue triangles seen in the shape index plots support the existence of C-H ... π and π-π interactions between the benzene and pyridine rings. These interactions have also been determined by the single crystal X-ray diffraction method and contribute significantly to the stability of the crystal packing of the complexes.

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