Issue 26, 2022

Intermolecular interactions in the solid-state structures of isoflavones: the relationship between supramolecular structure, torsion angle, and macroscopic properties

Abstract

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 π-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.

Graphical abstract: Intermolecular interactions in the solid-state structures of isoflavones: the relationship between supramolecular structure, torsion angle, and macroscopic properties

Supplementary files

Article information

Article type
Paper
Submitted
04 fev 2022
Accepted
05 may 2022
First published
13 iyn 2022
This article is Open Access
Creative Commons BY license

CrystEngComm, 2022,24, 4731-4739

Intermolecular interactions in the solid-state structures of isoflavones: the relationship between supramolecular structure, torsion angle, and macroscopic properties

E. Sperlich, A. Kelling, G. Kwesiga and B. Schmidt, CrystEngComm, 2022, 24, 4731 DOI: 10.1039/D2CE00169A

This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. You can use material from this article in other publications without requesting further permissions from the RSC, provided that the correct acknowledgement is given.

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