4-Chlorocurcumin

The title compound [systematic name: 4-chloro-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one], C21H19ClO6, is close to planar, with a dihedral angle of 2.61 (7)° between the terminal phenyl groups and three intramolecular O—H...O hydrogen bonds occur. In the crystal, the molecul...

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Main Authors: Phuong-Truc T. Pham, Mamoun M. Bader
Format: Article
Language:English
Published: International Union of Crystallography 2025-01-01
Series:IUCrData
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Online Access:https://journals.iucr.org/paper?S2414314624012434
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author Phuong-Truc T. Pham
Mamoun M. Bader
author_facet Phuong-Truc T. Pham
Mamoun M. Bader
author_sort Phuong-Truc T. Pham
collection DOAJ
description The title compound [systematic name: 4-chloro-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one], C21H19ClO6, is close to planar, with a dihedral angle of 2.61 (7)° between the terminal phenyl groups and three intramolecular O—H...O hydrogen bonds occur. In the crystal, the molecules are linked into [201] chains by O—H...O hydrogen bonds and weak aromatic π–π stacking is also observed with a shortest centroid–centroid separation of 3.7279 (8) Å.
format Article
id doaj-art-ebf5160589314823ba7462102f89dcc2
institution Kabale University
issn 2414-3146
language English
publishDate 2025-01-01
publisher International Union of Crystallography
record_format Article
series IUCrData
spelling doaj-art-ebf5160589314823ba7462102f89dcc22025-02-06T07:26:56ZengInternational Union of CrystallographyIUCrData2414-31462025-01-01101x24124310.1107/S2414314624012434hb45014-ChlorocurcuminPhuong-Truc T. Pham0Mamoun M. Bader1Department of Chemistry, Pennsylvania State Scranton, Dunmore, PA 18512, USADepartment of Chemistry, Alfaisal University, Riyadh 11533, Saudi ArabiaThe title compound [systematic name: 4-chloro-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one], C21H19ClO6, is close to planar, with a dihedral angle of 2.61 (7)° between the terminal phenyl groups and three intramolecular O—H...O hydrogen bonds occur. In the crystal, the molecules are linked into [201] chains by O—H...O hydrogen bonds and weak aromatic π–π stacking is also observed with a shortest centroid–centroid separation of 3.7279 (8) Å.https://journals.iucr.org/paper?S2414314624012434crystal structurecurcumin derivativehydrogen bonds
spellingShingle Phuong-Truc T. Pham
Mamoun M. Bader
4-Chlorocurcumin
IUCrData
crystal structure
curcumin derivative
hydrogen bonds
title 4-Chlorocurcumin
title_full 4-Chlorocurcumin
title_fullStr 4-Chlorocurcumin
title_full_unstemmed 4-Chlorocurcumin
title_short 4-Chlorocurcumin
title_sort 4 chlorocurcumin
topic crystal structure
curcumin derivative
hydrogen bonds
url https://journals.iucr.org/paper?S2414314624012434
work_keys_str_mv AT phuongtructpham 4chlorocurcumin
AT mamounmbader 4chlorocurcumin