Crystal structure of bis-{2-[5-(3,4,5-tri-meth-oxyphenyl)-4 H -1,2,4-triazol-3-yl]pyridine}palladium(II) bis-(tri-fluoro-acetate) tri-fluoro-acetic acid disolvate.
Borys V ZakharchenkoDmytro M KhomenkoRoman O DoroshchukAlexandra I BarganOlga Yu VassilyevaRostyslav D LampekaPublished in: Acta crystallographica. Section E, Crystallographic communications (2024)
The new palladium(II) complex, [Pd(C 16 H 16 N 4 O 3 ) 2 ](CF 3 COO) 2 ·2CF 3 COOH, crystallizes in the triclinic space group P with the asymmetric unit containing half the cation (Pd II site symmetry C i ), one tri-fluoro-actetate anion and one co-crystallized tri-fluoro-acetic acid mol-ecule. Two neutral chelating 2-[5-(3,4,5-tri-meth-oxy-phen-yl)-4 H -1,2,4-triazol-3-yl]pyridine ligands coordinate to the Pd II ion through the triazole-N and pyridine-N atoms in a distorted trans -PdN 4 square-planar configuration [Pd-N 1.991 (2), 2.037 (2) Å; cis N-Pd-N 79.65 (8), 100.35 (8)°]. The complex cation is quite planar, except for the methoxo groups (δ = 0.117 Å for one of the C atoms). The planar configuration is supported by two intra-molecular C-H⋯N hydrogen bonds. In the crystal, the π-π-stacked cations are arranged in sheets parallel to the ab plane that are flanked on both sides by the tri-fluoro-acetic acid-tri-fluoro-acetate anion pairs. Apart from classical N/O-H⋯O hydrogen-bonding inter-actions, weak C-H⋯F/N/O contacts consolidate the three-dimensional architecture. Both tri-fluoro-acetic moieties were found to be disordered over two resolvable positions with a refined occupancy ratio of 0.587 (1):0.413 (17) and 0.530 (6):0.470 (6) for the protonated and deprotonated forms, respectively.