Exploring the structural diversities of three Co(II) complexes constructed from a new quinoline-containing N3O-cavity half-salamo type ligand and various counteranions

Effects of changing ions on the crystal design, non-covalent interactions, antimicrobial activity, and molecular docking of Cu(II) complexes with a pyridoxal-hydrazone ligand

“…Red spots in the d norm HS indicate the presence of hydrogen bonds in the structure of all complexes ( Figure 6 ). The most intense red regions are related to N–H∙∙∙Cl and N–H∙∙∙Br in (1) and (2), respectively, with an internuclear distance between 2.35 and 2.58 Å, and O–H∙∙∙O in (3) and (4) with an internuclear distance between 2.00 and 2.43 Å. Non-classical interactions are verified in the HS of the four compounds, such as C–H∙∙∙O interactions ( Man et al, 2023 ; Yilmaz et al, 2024 ). The shape index map allows a clearer observation of the π⋅⋅⋅π interactions, which show a pattern of red and blue triangles.…”

“…The abundant non-covalent interactions observed, such as π⋅⋅⋅π stacking interactions and hydrogen bonds, are vital to connecting adjacent molecules to form supramolecular structures ( Man et al, 2023 ). The different ions present in the unit cell play an important role in the formation of the intermolecular interactions and are essential for the formation and assembly of the complex.…”

“…The 2D-fingerprint plots (FP) associated with the Hirshfeld surface of the Cu(II) complexes ( Supplementary Figures S22–S25 ) were obtained to verify the contribution of each contact and to help better comprehend the interactions occurring within the crystal ( Man et al, 2023 ; Yilmaz et al, 2024 ). The H∙∙∙H contact contributes most to the molecular surface of the complexes with values 32.3% – 38%.…”

“…The Hirshfeld surface (HS) allowed the evaluation of the electronic density distributions at the crystal structures to predict 4) with an internuclear distance between 2.00 and 2.43 Å. Non-classical interactions are verified in the HS of the four compounds, such as C-H•••O interactions (Man et al, 2023;Yilmaz et al, 2024). The shape index map allows a clearer observation of the π•••π interactions, which show a pattern of red and blue triangles.…”