The first mixed-ligand coordination compound involving 8-aminoquinoline and pyridine-2,6-dicarboxylate: synthesis, X-ray crystal structure, and DFT studies

Abstract

2015): The first mixed-ligand coordination compound involving 8-aminoquinoline and pyridine-2,6-dicarboxylic ligands: Synthesis, X-ray crystal structure and DFT studies, Journal of Coordination Chemistry, Self-assembly of pyridine-2,6-dicarboxylic acid (H 2 py-2,6-dc) and CrCl 3 ·6H 2 O in the presence of 8-aminoquinoline as a N-donor co-ligand leads to formation of a supramolecular coordination compound in which the cationic and anionic complexes differ in composition, namely, [Cr(py-2,6-dc)(8-aq)(H 2 O)][Cr(py-2,6-dc) 2 ]·2H 2 O (1). Single-crystal X-ray analysis reveals that the coordination sphere around Cr in the cationic complex consists of one (py-2,6-dc) 2-, one 8-aq and one H 2 O while the anionic complex is more symmetrical and has two (py-2,6-dc) 2-ligands in its coordination environment. Both Cr centres are six-coordinate with distorted octahedral geometries. The ionic coordination motifs in 1 are held together by intermolecular O−H···O, N−H···O and C−H···O hydrogen bonding as well as C−O···π, C−H···π and π−π stacking interactions to produce extended 2D architectures. We have analyzed the π−π stacking interactions by DFT calculations focusing our attention to the influence of the anionic/cationic nature of the complex.

Recurrent Supramolecular Motifs in a Series of Acid–Base Adducts Based on Pyridine-2,5-Dicarboxylic Acid N-Oxide and Organic Bases: Inter- and Intramolecular Hydrogen Bonding

“…At least half of the marketed active pharmaceutical ingredients (APIs) are administered as salts. In general, a salt is formed via proton transfer from an acid to a base, leading to the formation of a conjugate acid (protonated base) and conjugate base (deprotonated acid). − Over the past decade, Mirzaei et al have focused on the synthesis and structural characterization of novel supramolecular proton-transferred compounds − and coordination complexes , based on derivatives of pyridinedicarboxylic acids, owing to their remarkable applications such as anticancer properties, anti-HIV agent, gas adsorbent, etc. − …”

Effects of N-oxidation on the molecular and crystal structures and properties of isocinchomeronic acid, its metal complexes and their supramolecular architectures: experimental, CSD survey, solution and theoretical approaches

“…A search of the CSD (version 5.38, with updates until February 2017) for the pydco ligand returned no published examples of transition metal complexes coordinated to this ligand. Previously in our group we have synthesized a series of complexes with N/O donor ligand H 2 pydc [62][63][64][65] and here we report the corresponding transition metal complexes with exclusively Odonor H 2 pydco ligand. The aim was to explore how altering the coordination mode of the ligand changes the molecular structures, non-covalent interactions and therefore the supramolecular structures of these complexes.…”