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The following articles are a selection of those recently accepted for publication in Acta Crystallographica Section E: Crystallographic Communications.
See also Forthcoming articles in all IUCr journals.
research communications (GM)Crystal structure and Hirshfeld surface analysis of trichlorido(1,10-phenanthroline-κ2N,N′)phenyltin(IV)
The title compound, which was obtained by the reaction between 1,10-phenanthroline and phenyltin trichloride in methanol, exhibits intramolecular interactions involving the chlorine and hydrogen atoms. Crystal cohesion is ensured by intermolecular C—H⋯Cl hydrogen bonds, as well as Y—X⋯π and π-stacking interactions
research communications (GO)Synthesis, non-spherical structure refinement and Hirshfeld surface analysis of racemic 2,2′-diisobutoxy-1,1′-binaphthalene
The structure of the title 1–1′-binaphthyl derivative was refined with non-spherical atomic form factors computed using the DFT method at the PBE0/def2-TZVP basis set level.
research communications (GM)Synthesis and crystal structure of poly[ethanol(μ-4-methylpyridine N-oxide)di-μ-thiocyanato-cobalt(II)]
In the crystal structure of the title compound, the CoII cations are octahedrally coordinated by two bridging and one terminal thiocyanate anions, two bridging 4-methylpyridine N-oxide coligands and one ethanol molecule and linked into chains by single μ-1,3-bridging anionic ligands that are further connected into layers by pairs of μ-1,1(O,O)-bridging 4-methylpyridine N-oxide coligands.
research communications (GO)Crystal structure and Hirshfeld surface analysis of (E)-N-(2-styrylphenyl)benzenesulfonamide
The crystal structure of the title compound C20H17NO2S features hydrogen-bonding and C—H⋯π. Docking studies show that it has a strong binding affinity with EGFR kinase, indicating its potential as a promising candidate for targeted lung cancer therapy.
research communications (GM)Crystal structures of the (η2:η2-cycloocta-1,5-diene)(η6-toluene)iridium(I) cation and μ-chlorido-iridium(III) complexes of 2-(phosphinito)- and 2-(phosphinomethyl)anthraquinone ligands
Phosphinito and phosphinomethyl ligands incorporating an anthraquinone moiety were reacted with bis(cycloocta-1,5-diene)diiridium(I) dichloride to afford novel diiridium species. Intended as pincer-type tridentate ligands, bidentate binding modes were determined by X-ray crystallography. The anionic μ-trichlorido phosphinito complex formed is charged-balanced by one [Ir(toluene)(cycloocta-1,5-diene)]+ per asymmetric unit, the structure of which has not previously been reported despite a long history of use as an IrI source in organometallic chemistry.
research communications (GM)Synthesis, characterization, and crystal structure of hexakis(1-methyl-1H-imidazole-κN3)zinc(II) dinitrate
The title complex, which consists of a central zinc metal ion surrounded by six 1-methylimidazole ligands, charge balanced by two nitrate anions and which crystallizes in the space group P![[\overline{3}]](./)
has been synthesized and its structure determined.
research communications (GO)Crystal structure, Hirshfeld surface analysis, and calculations of intermolecular interaction energies and energy frameworks of 1-[(1-hexyl-1H-1,2,3-triazol-4-yl)methyl]-3-(1-methylethenyl)-benzimidazol-2-one
In the title molecule, the benzimidazole moiety is oriented almost perpendicular to the triazole ring. In the crystal, C—H⋯O hydrogen bonds link the molecules into a network structure.
research communications (GM)Variable temperature studies of tetrapyridinesilver(I) hexafluorophosphate and tetrapyridinesilver(I) hexafluoroantimonate
Structures of tetrapyridinesilver(I) hexafluorophosphate and tetrapyridine silver(I) hexafluoroantimonate are reported from data collected at 300 K and 100 K.
