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  • Title: 2',4'-Dihydroxy-3-methoxy-alpha,beta-dihydrochalcone and 2',4-dihydroxy-alpha,beta-dihydrochalcone: supramolecular structures formed by O-H...O, C-H...O and stacking interactions.
    Author: Marek J, Lunerová K, Tousek J, Suchý V, Marek R.
    Journal: Acta Crystallogr C; 2005 Jun; 61(Pt 6):o386-9. PubMed ID: 15930692.
    Abstract:
    The crystal structures of 2',4'-dihydroxy-3-methoxy-alpha,beta-dihydrochalcone, C16H16O4, and 2',4-dihydroxy-alpha,beta-dihydrochalcone, C15H14O3, have been determined. In both compounds, the structure consists of two nearly planar six-membered aromatic rings connected by a propanal chain, which is bent in the methoxy compound and almost straight in the other compound. In the crystal structures, the molecular units of both compounds are linked by O-H...O hydrogen bonds to form infinite one-dimensional chains. Hydrogen bonds and C-H...O contacts in the crystal structures were studied by topological analysis of charge density based on Hartree-Fock calculations. Almost all of the investigated C-H...O contacts should be characterized as weak hydrogen bonds.
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