Crystal Structure, Hirshfeld Surface Analysis and Biological Activities of trans-Dipyridinebis (3-Acetyl-2-Oxo-2H-Chromen-4-Olato)Cobalt(II)

Abstract

The novel cobalt(II) complex, trans-dipyridinebis(3-acetyl-2-oxo-2H-chromen-4-olato)cobalt(II), was synthesized in ethanol. The coordination sphere of the cobalt cation was elucidated using single-crystal X-ray diffraction analysis and spectroscopic techniques (FT-IR, UV-Visible and fluorescence). Hirshfeld surface analysis indicates that hydrogen bond interactions, such as C-H•••O hydrogen bonding between the oxygen of lactone group and the pyridine appear as a primary interaction between the complex's molecules. The presence of π-π stacking was evident by the shape index and curvature. Analysis of 2D fingerprint plots confirm that intermolecular H•••H, C•••H and H•••O interactions are well dominated and are in complement to the Hirshfeld surface. The metal-ligand coordination strongly influences the fluorescence intensity (the fluorescence quenching) and the offset of the emission wavelength. The metal complex was monitored for antimicrobial activity using the disk diffusion method and showed significant activity compared to the coumarin ligand.

Solvent Free, Selective Oxidation of Styrene Catalyzed by Cobalt Acylpyrazolone Supported onto Neutral Alumina: Synthesis and Spectral Characterization

“…The curvedness of the surface serves as a sign of the π⋅⋅⋅π interaction of stacking. The presence of a π⋅⋅⋅π stacking interaction in the current molecule is indicated by the little flat patch (depicted by a square) seen on the curvedness surface [32–34] …”

“…On the Hirshfeld surface, the d norm value is displayed with blue, white, and red colours. [32][33][34] Figure 6 provides a representation of a 2D fingerprint. The four significant interactions that make up the majority of the Hirshfeld surface, in terms of percentage contributions, are…”

Synthesis, characterization, biological studies and DFT study of Schiff Bases and their complexes derived from aromatic diamine compounds with cobalt (II)

“…In the complexes, these double bands were seen to shift to lengthier wavelengths. The spectra pertaining to the complexes (L 2 Co) and (L 1 Co) demonstrated two newer bands that had longer wavelengths (visible region), which were then assigned to the metal-ligand charge transfer (MLCT) bands and d-d transitions of the metal ion [12][13][14] . (11 -12) and Table (6).…”

Hydrogen Bonds in Bis(1H-benzimidazole-κN3)cadmium(II) Dibenzoate: Hirshfeld Surface Analysis and AIM Perspective

“…In the last few years the analysis of molecular crystal structures using tools based on Hirshfeld surfaces has rapidly gained in popularity, [34][35][36] and they were carried out and plotted using CrystalExplorer software. 20,[37][38][39][40][41] Hirshfeld surface analysis comprising d norm -and shape index-surfaces, and 2D fingerprint plots (FP).…”