Crystal structures of (E)-3-(4-hydroxybenzylidene)chroman-4-one and (E)-3-(3-hydroxybenzylidene)-2-phenylchroman-4-one - Publication - Bridge of Knowledge

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Crystal structures of (E)-3-(4-hydroxybenzylidene)chroman-4-one and (E)-3-(3-hydroxybenzylidene)-2-phenylchroman-4-one

Abstract

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 pi–pi 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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Category:
Articles
Type:
artykuły w czasopismach
Published in:
Acta Crystallographica Section E CRYSTALLOGRAPHIC COMMUNICATIONS no. 75, pages 1907 - 1913,
ISSN: 2056-9890
Language:
English
Publication year:
2019
Bibliographic description:
Suchojad K., Dołęga A., Adamus-Grabicka A., Budzisz E., Małecka M.: Crystal structures of (E)-3-(4-hydroxybenzylidene)chroman-4-one and (E)-3-(3-hydroxybenzylidene)-2-phenylchroman-4-one// Acta Crystallographica Section E CRYSTALLOGRAPHIC COMMUNICATIONS -Vol. 75,iss. 12 (2019), s.1907-1913
DOI:
Digital Object Identifier (open in new tab) 10.1107/s2056989019015639
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