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.
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.
authors.affiliation: Department of Functional Genomics and Proteomics, Faculty of Science, Masaryk University, Kotlárská 2, CZ-611 37 Brno, Czech Republic. marek@chemi.muni.cz
authors.forename: Jaromír
authors.initials: J
authors.lastname: Marek
authors.forename: Kamila
authors.initials: K
authors.lastname: Lunerová
authors.forename: Jaromír
authors.initials: J
authors.lastname: Tousek
authors.forename: Václav
authors.initials: V
authors.lastname: Suchý
authors.forename: Radek
authors.initials: R
authors.lastname: Marek
mesh_terms: D047188:Chalcones / Q000737:chemistry*; D008958:Models, Molecular; D015394:Molecular Structure
chemical_list: C487593:2',4'-dihydroxy-3'-methoxychalcone; D047188:Chalcones; C015812:dihydrochalcone