In:
Acta Crystallographica Section E Crystallographic Communications, International Union of Crystallography (IUCr), Vol. 80, No. 6 ( 2024-06-01), p. 567-571
Abstract:
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 \overline{1} with the asymmetric unit containing half the cation (Pd II site symmetry C i ), one trifluoroactetate anion and one co-crystallized trifluoroacetic acid molecule. Two neutral chelating 2-[5-(3,4,5-trimethoxyphenyl)-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 intramolecular 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 trifluoroacetic acid–trifluoroacetate anion pairs. Apart from classical N/O—H...O hydrogen-bonding interactions, weak C—H...F/N/O contacts consolidate the three-dimensional architecture. Both trifluoroacetic 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.
Type of Medium:
Online Resource
ISSN:
2056-9890
DOI:
10.1107/S205698902400392X
DOI:
10.1107/S205698902400392X/jw2005sup1.cif
DOI:
10.1107/S205698902400392X/jw2005Isup2.hkl
Language:
Unknown
Publisher:
International Union of Crystallography (IUCr)
Publication Date:
2024
detail.hit.zdb_id:
2843762-7
detail.hit.zdb_id:
2041947-8
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