Intermolecular Non-Covalent Interactions in the Crystal Packing of Spirobarbiturates: A Hirshfeld Surface Analysis
Abstract Three spirocyclic barbituric acid derivatives, previously synthesized via the 1,3-dipolar cycloaddition of an azomethine ylide with substituted cyclopropenes in our earlier work, were investigated using Hirshfeld surface analysis based on single-crystal X-ray diffraction data. The intermolecular interactions were characterized and quantified via fingerprint plots, global surface descriptors, and interaction energy decomposition.
Authors
- Alexander V. Stepakov (ORCID: https://orcid.org/0000-0001-6551-0042)
- Vitali M. Boitsov (ORCID: https://orcid.org/0000-0002-4857-2046)
- Arthur A. Puzyrkov (ORCID: https://orcid.org/0000-0003-3133-2158)
- Ekaterina V. Berezhnaya
- Kristina A. Kim
- Daria A. Zykova (ORCID: https://orcid.org/0009-0001-0355-6747)
Institutions
- Saint Petersburg Academic University (RU)
- St Petersburg University (RU)
- St. Petersburg State Technological Institute (RU)
Publication Details
- Journal
- Russian Journal of General Chemistry
- Published
- 2026-09-12
- DOI
- https://doi.org/10.1134/s1070363226602127
- Primary Topic
- Crystallography and molecular interactions
- Type
- article
- Field-Weighted Citation Impact
- 0.00