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In the title compound, [Co(C7H4ClO2)2(C6H6N2O)2(H2O)2], the CoII atom lies on a centre of inversion and is coordinated in a distorted octahedral geometry by two 4‐chlorobenzoate anions, two nicotinamide molecules and two water molecules, all of which act as monodentate ligands. Intermolecular O—H...O and N—H...O hydrogen bonds link the molecules into two‐dimensional sheets.

Two new complexes, [M (AB)2(CP)2(H2O)2] (where M = Ni and Co AB = 4‐aminobenzoate and CP = cyanopyridine), were synthesized and characterized using different techniques (elemental analysis, FT‐IR spectrophotometer, LC/MS, single‐crystal X‐ray diffraction, and TGA/DTA analysis). As a result of X‐ray structural analysis, it was determined that complexes are isostructural. In the crystalline structures, MII ions are bridged with their carboxylate oxygen and aminopyridine nitrogen atoms and their symmetry‐related counterparts to form a two‐dimensional polymeric structure. The MII ion is octa‐coordinated with two nitrogen atoms and two oxygen atoms of the AB and two atoms of the CP anions. In this study, the effect of these molecules, containing a biologically active group, was investigated on important metabolic enzymes (carbonic anhydrase isoenzymes I and II (hCA I and II), achethylcholinesterase (AChE), and α‐glycosidase (α‐Gly) enzymes).

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Hirshfeld surface analysis, a suitable tool for investigating intermolecular interactions, has been widely used in crystallography in recent years. A breakdown of related fingerprint graphics is presented as a color chart, allowing a quantitative analysis of intermolecular interaction types. In this study, the intermolecular interactions of diaqua-bis(4-cyanobenzoato-κO)bis(nicotinamide-κN 1 )cobalt(II) (I), diaquabis(4-cyanobenzoato-κO)bis(nicotinamide-κN 1 )copper(II) (II), diaquabis(4-cyanobenzoato-κO)bis(nicotinamide-κN 1 )nickel(II) (III), triaqua(4-cyanobenzoato-κ 2 O,O')(nicotinamide-κN)zinc(II) 4cyanobenzoate (IV), diaquabis(4-cyanobenzoato-κO)bis(N,N'-diethylnicotinamide-κN)cadmium(II) (V), diaquabis(4-cyanobenzoato-κO)bis(N,N'-diethylnicotinamide-κN)zinc(II) (VI) and catena-poly [[aquabis(4cyanobenzoato-κO)copper(II)]-μ-N,N'-diethylnicotinamide-κ 2 N 1 :O] (VII) complexes, crystal structures were previously determined and investigated by using Hirshfeld surface analysis via CrystalExplorer Program Version 17.5. In addition, the intermolecular interaction energies of the complexes were calculated using CE-HF/3-21G and CE-B3LYP/6-31G (d,p) energy models that involved in CrystalExplorer (CE) software. Related to the obtained Hirshfeld surface analysis results,

Two mononuclear [Co(3‐BrBA)2(NA)2(H2O)2] (1) and [Ni(3‐BrBA)2(3‐CNPY)2(H2O)2] (2) (3‐BrBA = 3‐bromobenzoate, NA = pyridine‐3‐carboxylic acid, and 3‐CNPy = 3‐cyanopyridine) were synthesized and characterized by single crystal X‐ray diffraction, elemental analysis, and FT‐IR spectroscopy. In both complexes, the metal atom is coordinated by two oxygen atoms of two carboxylate anions, two nitrogen atoms of two pyridine rings, and two oxygen atoms of two water molecules in the distorted octahedral environment. Intermolecular interactions were examined with the help of the 3D Hirshfeld surfaces and 2D fingerprint plots. With the help of density functional theory (DFT) studies, besides verifying the experimentally obtained structural properties, the electronic energies, polarizability, dipole moments, ionization potentials, electron affinities, electronegativity, chemical hardness, global softness, electrophilic indexes, HOMO‐LUMO orbitals, and band gaps were also calculated. In vitro cytotoxic activity of the complexes on primary peripheral blood mononuclear cells were evaluated using the MTT assay. Fluorescence quenching techniques and molecular docking studies were used to investigate the interaction between bovine serum albumin (BSA) and the complexes. The molecular docking study has been used to explain the interaction of complexes with spike proteins of beta variant (B.1.351), gamma variant (P.1), delta variant (B.1.617.2), kappa variant (B.1.617.1), and omicron variant (B.1.1.529) of coronavirus. Additionally, the pharmacokinetic and toxicological properties of the complexes have been computed using the SwissADME and ProTox‐II online databases, respectively.

In this study, the synthesis, Hirshfield surface analysis, linear absorption, fluorescence properties and carrier dynamics of [Mn(1,10‐phenanthroline)2(H2O)Cl].(4‐formylbenzoate)(H2O)3 complex were reported. To determine of the structure the complex, elemental analysis, FT‐IR Spectra, and single crystal X‐ray diffraction analysis were done. The linear optical absorption and emission measurements of the complex in DMSO solvent at 0.5 g/L concentration were recorded by UV‐Vis and fluorescence spectrophotometers, respectively. The carrier dynamics of the complex was obtained by using time‐resolved transmission pump‐probe spectroscopy. In the light of the obtained optical results, it can be said that the complex is linear optically ultraviolet absorber, nonlinear optically excited state absorber and wide range emitter with fast response time. The intermolecular interactions which are occurred in the complex were investigated by Hirshfeld surface analysis. Three dimensional dnorm and two dimensional fingerprints plots of the complex were obtained from Hirshfeld surface analysis. In this way, the amounts of the chemical bounds, taking place in the structure were determined and used to support of the discussion of the linear optical absorption and emission results which were experimentally obtained.