6533b825fe1ef96bd1283443
RESEARCH PRODUCT
Crystal structures of (E)-3-(4-hydroxybenzylidene)chroman-4-one and (E)-3-(3-hydroxybenzylidene)-2-phenylchroman-4-one
Magdalena MałeckaElzbieta BudziszKamil SuchojadAnna DołęgaAngelika Adamus-grabickasubject
crystal structurelipophilicity index010405 organic chemistryChemistryHydrogen bondGeneral ChemistryCrystal structure010402 general chemistryCondensed Matter Physicschromanone derivative01 natural sciences0104 chemical scienceslcsh:ChemistryCrystallographylcsh:QD1-999hirshfeld surface analysisLipophilicityHirshfeld surface analysisGeneral Materials Scienceflavanone derivativedescription
The synthesis and crystal structures of (E)-3-(4-hydroxybenzylidene)chroman-4-one, C16H12O3, I, and (E)-3-(3-hydroxybenzylidene)-2-phenylchroman-4-one, C22H16O3, II, are reported. These compounds are of interest with respect to biological activity. Both structures display intermolecular C—H...O and O—H...O hydrogen bonding, forming layers in the crystal lattice. The crystal structure of compound I is consolidated by π–π interactions. The lipophilicity (logP) was determined as it is one of the parameters qualifying compounds as potential drugs. The logP value for compound I is associated with a larger contribution of C...H interaction in the Hirshfeld surface.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2019-12-01 | Acta Crystallographica Section E Crystallographic Communications |