The synthesis and structural characterization of a series of supramolecular complexes of bicyclic cationic pyridine-fused 1,2,4-selenodiazoles with various anions is reported. The binding of trifluoroacetate, tetrachloroaurate, tetraphenylborate, perrhenate, and pertechnetate anions in the solid state is regarded. All the anions interact with selenodiazolium cations exclusively via a pair of “chelating” Se⋯O and H⋯O non-covalent interactions, which make them an attractive, novel, non-classical supramolecular recognition unit or a synthon. Trifluoroacetate salts were conveniently generated via novel oxidation reaction of 2,2′-dipyridyl diselenide with bis(trifluoroacetoxy)iodo)benzene in the presence of corresponding nitriles. Isolation and structural characterization of transient 2-pyridylselenyl trifluoroacetate was achieved. X-ray analysis has demonstrated that the latter forms dimers in the solid state featuring very short and strong Se⋯O and Se⋯N ChB contacts. 1,2,4-Selenodiazolium trifluoroacetates or halides show good solubility in water. In contrast, (AuCl4)−, (ReO4)−, or (TcO4)− derivatives immediately precipitate from aqueous solutions. Structural features of these supramolecular complexes in the solid state are discussed. The nature and energies of the non-covalent interactions in novel assembles were studied by the theoretical methods. To the best of our knowledge, this is the first study that regards perrhenate and pertechnetate as acceptors in ChB interactions. The results presented here will be useful for further developments in anion recognition and precipitation involving cationic 1,2,4-selenodiazoles.
10 May 2022 in Acta Crystallographica Section E Crystallographic Communications
In the title compound, C16H11BrN6O·2C2H6OS, the 1,2,3,7-tetrahydroimidazo[1,2-a]pyridine ring system and the oxindole moiety are both nearly planar [maximum deviations = 0.042 (2) and 0.115 (2) Å, respectively] and their planes form a dihedral angle of 86.04 (5)° with each other. Intermolecular N—H...O, C—H...O and C—H...N hydrogen bonds link molecules in the crystal through the O atoms of the solvent molecules, generating a three-dimensional network. A Hirshfeld surface analysis was performed to further analyse the intermolecular interactions.
The aim of the work was to synthesize new perspective compounds of palladium and platinum with nitrogenous bases (guanine), promising for use in biomedicine and catalysis. The article describes the synthesis of new [PdCl2(HGua)2]Cl2·H2O and [PtCl5(HGua)]·2H2O compounds using wet chemistry methods. The structure of the obtained single crystals was established by the method of single crystal X-ray diffraction. The complexes have an M-N bond, and the organic ligand is included in the first coordination sphere. The analysis of Hirshfeld surfaces for the obtained complexes and their analogues for the analysis of intermolecular interactions was carried out. In the palladium complex we obtained, π-halogen and π-stacking interactions were found; in analogues, such interactions were not found. π-halogen and halogen interactions were found in structure of platinum complex and its analogues.
This work aimed to synthesize new platinum and uranium compounds with nicotinic acid. In this article we describe the synthesis of two new anionic complexes (HNic)2[PtCl6] and (HNic)2[UO2Cl4] using wet chemistry methods. The structure of the obtained single crystals was established by single-crystal X-ray diffraction. The Hirshfeld surface analysis of the obtained complexes and their analogue (HNic)2[SiF6] was carried out for the analysis of intermolecular interactions. Hydrogen bonds (H···Hal/Hal···H and O···H/H···O) make the main contribution to intermolecular interactions in all compounds. Other important contacts in cations in all compounds are H···H, C···H/H···C and C···Hal/Hal···C; in anions H···Hal/Hal···H. The Pt-containing complex has a halogen-π interaction and halogen bonds, but Si-containing complex has a π–π staking interaction; these types of interactions are not observed in the U-containing compound.