Intermolecular interactions in the solid-state structures of isoflavones
- The molecular structures of three closely related isoflavones have been determined by single crystal X-ray diffraction and have been analysed by geometry matching with the CSD, Hirshfeld surface analysis and analysis of stacking interactions with the Aromatic Analyser program (CSD). The formation of the supramolecular structure by non-covalent interactions was studied and substantial differences in the macroscopic properties e.g., the solubility, were correlated with hydrogen bonding and pi-stacking interactions. Moreover, a correlation between the supramolecular structure, the torsion angle (between benzopyran group and aryl group), and macroscopic properties was determined in the three compounds.
| Author details: | Eric SperlichORCiDGND, Alexandra Kelling, George KwesigaORCiDGND, Bernd SchmidtORCiDGND |
|---|---|
| DOI: | https://doi.org/10.1039/d2ce00169a |
| ISSN: | 1466-8033 |
| Title of parent work (English): | CrystEngComm / The Royal Society of Chemistry |
| Subtitle (English): | the relationship between supramolecular structure, torsion angle, and macroscopic properties |
| Publisher: | Royal Society of Chemistry |
| Place of publishing: | London |
| Publication type: | Article |
| Language: | English |
| Date of first publication: | 2022/06/13 |
| Publication year: | 2022 |
| Release date: | 2022/11/11 |
| Volume: | 24 |
| Issue: | 26 |
| Number of pages: | 9 |
| First page: | 4731 |
| Last Page: | 4739 |
| Funding institution: | German Academic Exchange Service (DAAD) [57381412] |
| Organizational units: | Mathematisch-Naturwissenschaftliche Fakultät / Institut für Chemie |
| DDC classification: | 5 Naturwissenschaften und Mathematik / 54 Chemie / 540 Chemie und zugeordnete Wissenschaften |
| Peer review: | Referiert |
| Publishing method: | Open Access / Hybrid Open-Access |
| DOAJ gelistet | |
| License (English): |  Creative Commons - Namensnennung 3.0 Unported |
