Marek Jaromír, Lunerová Kamila, Tousek Jaromír, Suchý Václav, Marek Radek
Department of Functional Genomics and Proteomics, Faculty of Science, Masaryk University, Kotlárská 2, CZ-611 37 Brno, Czech Republic.
Acta Crystallogr C. 2005 Jun;61(Pt 6):o386-9. doi: 10.1107/S0108270105013661. Epub 2005 May 20.
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.
