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Crystal structures of (E)-3-(4-hydroxybenzylidene)chroman-4-one and (E)-3-(3-hydroxybenzylidene)-2-phenylchroman-4-one
The synthesis and crystal structures of (E)-3-(4-hydroxybenzylidene)chroman-4-one, C(16)H(12)O(3), I, and (E)-3-(3-hydroxybenzylidene)-2-phenylchroman-4-one, C(22)H(16)O(3), II, are reported. These compounds are of interest with respect to biological activity. Both structures display interm...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6895947/ https://www.ncbi.nlm.nih.gov/pubmed/31871756 http://dx.doi.org/10.1107/S2056989019015639 |
Sumario: | The synthesis and crystal structures of (E)-3-(4-hydroxybenzylidene)chroman-4-one, C(16)H(12)O(3), I, and (E)-3-(3-hydroxybenzylidene)-2-phenylchroman-4-one, C(22)H(16)O(3), 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. |
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