Crystal structure and Hirshfeld surface analysis of supramolecular aggregate of 2,2,6,6-tetra­methyl­piperidin-1-ium bromide with 1,2,3,4-tetra­fluoro-5,6-di­iodo­benzene
2025

Crystal Structure of a New Compound

publication Evidence: moderate

Author Information

Author(s): Gurbanov Atash V., Hökelek Tuncer, Mammadova Gunay Z., Hasanov Khudayar I., Javadzade Tahir A., Belay Alebel N.

Primary Institution: Baku State University

Hypothesis

The study investigates the crystal structure and interactions of a new supramolecular aggregate formed from specific chemical compounds.

Conclusion

The study successfully elucidates the crystal structure and significant intermolecular interactions of the compound.

Supporting Evidence

  • The asymmetric unit contains one 2,2,6,6-tetra­methyl­piperidine-1-ium cation, one 1,2,3,4-tetra­fluoro-5,6-di­iodo­benzene molecule, and one uncoordinated bromide anion.
  • Hydrogen bonding and van der Waals interactions are the dominant interactions in the crystal packing.
  • A Hirshfeld surface analysis indicates that the most important contributions for the crystal packing are from H⋯F/F⋯H, H⋯H, H⋯Br/Br⋯H, and H⋯I/I⋯H interactions.

Takeaway

Scientists created a new crystal by mixing certain chemicals, and they found that the way these molecules stick together is really important for the crystal's structure.

Methodology

The compound was synthesized through a reaction of 2,2,6,6-tetra­methyl­piperidinyl-1-oxy with 1,2,3,4-tetra­fluoro-5,6-di­iodo­benzene in the presence of CBr4.

Digital Object Identifier (DOI)

10.1107/S2056989024011502

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