Object's details: Crystal structures of (E)-3-(4-hydroxybenzylidene)chroman-4-one and (E)-3-(3-hydroxybenzylidene)-2-phenylchroman-4-one

Provider:Repozytorium Uniwersytetu Łódzkiego

Description

Title:
Crystal structures of (E)-3-(4-hydroxybenzylidene)chroman-4-one and (E)-3-(3-hydroxybenzylidene)-2-phenylchroman-4-one
Creator:
Suchojad, Kamil;
Małecka, Magdalena;
Adamus-Grabicka, Angelika;
Budzisz, Elżbieta;
Dołęga, Anna
Contributor:
Department of Physical Chemistry, Faculty of Chemistry, University of Lodz, Pomorska 163/165, 90-236 Łódź, Poland;
Department of Inorganic Chemistry, Gdańsk University of Technology, G. Narutowicza 11/12., 80-233 Gdańsk, Poland;
Department of Cosmetic Raw Materials Chemistry, Faculty of Pharmacy, Medical University of Lodz, Muszynskiego 1, 90-151 Łódź, Poland;
magdalena.malecka@chemia.uni.lodz.pl
Description:
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.;
Funding for this research was provided by: Uniwesytet Łódzki, Uniwersytet Medyczny w Łodzi (grant No. SGB_148_Suchojad_Kamil to K. Suchojad; grant No. 502-03/3-066-02/502-34-118 to A. Adamus-Grabicka, E. Budzisz).
Object availability:
free access
Rights:
Uznanie autorstwa 4.0 Międzynarodowe;
http://creativecommons.org/licenses/by/4.0
Date:
2022.01.26;
2019
Type:
Article
Language:
English
Format:
application/pdf
Publisher:
International Union of Crystallography
Relation:
Acta Crystallographica Section E: Crystallographic Communications;75;
12
Subject:
crystal structure;
chromanone derivative;
flavanone derivative;
lipophilicity index;
Hirshfeld surface analysis
Identifier:
2056-9890;
http://hdl.handle.net/11089/40505 ;
10.1107/S2056989019015639
Data provider:
Repozytorium Uniwersytetu Łódzkiego

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Object's details: Crystal structures of (E)-3-(4-hy­dr­oxy­benzyl­­idene)chroman-4-one and (E)-3-(3-hy­dr­oxy­benzyl­­idene)-2-phenyl­chroman-4-one

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Object's details: Crystal structures of (E)-3-(4-hydroxybenzylidene)chroman-4-one and (E)-3-(3-hydroxybenzylidene)-2-phenylchroman-4-one