Crystal structure and Hirshfeld surface analysis of (E)-1-(3,5-dichloro-2-hydroxyphenyl)-3-(5-methylfuran-2-yl)prop-2-en-1-one

Crystal structure and Hirshfeld surface analysis of (E)-1-(3,5-dichloro-2-hydroxyphenyl)-3-(5-methylfuran-2-yl)prop-2-en-1-one

The title chalcone derivative, C14H10Cl2O3, is almost planar, with a dihedral angle of 7.0 (2) ° between the 3,5-dichloro-2-hydroxyphenyl and 5-methylfuran rings. There is an intramolecular O—H...O hydrogen bond present forming an S(6) ring motif. In the crystal, molecules are linked by bifurcated C...

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Main Authors: N. R. Sreenatha, B. N. Lakshminarayana, D. P. Ganesha, C. R. Gnanendra
Format: Article
Language:English
Published: International Union of Crystallography 2018-10-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
crystal structure
chalcones
furan
hydrogen bonding
Hirshfeld surfaces
fingerprint plots
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989018012173
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spelling doaj-33c98bd91c4a4ea5856ab0457133cbb22020-11-25T00:41:05ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902018-10-0174101451145410.1107/S2056989018012173qm2127Crystal structure and Hirshfeld surface analysis of (E)-1-(3,5-dichloro-2-hydroxyphenyl)-3-(5-methylfuran-2-yl)prop-2-en-1-oneN. R. Sreenatha0B. N. Lakshminarayana1D. P. Ganesha2C. R. Gnanendra3Department of Physics, Adichunchanagiri Institute of Technology, Chikamagaluru 577 102, Karnataka, IndiaDepartment of Physics, Adichunchanagiri Institute of Technology, Chikamagaluru 577 102, Karnataka, IndiaDepartment of Physics, Adichunchanagiri Institute of Technology, Chikamagaluru 577 102, Karnataka, IndiaDepartment of Chemistry, Adichunchanagiri Institute of Technology, Chikamagaluru 577 102, Karnataka, IndiaThe title chalcone derivative, C14H10Cl2O3, is almost planar, with a dihedral angle of 7.0 (2) ° between the 3,5-dichloro-2-hydroxyphenyl and 5-methylfuran rings. There is an intramolecular O—H...O hydrogen bond present forming an S(6) ring motif. In the crystal, molecules are linked by bifurcated C—H/H...O hydrogen bonds, enclosing an R12(6) ring motif, forming a 21 helix propagating along the b-axis direction. The intermolecular interactions were quantified using Hirshfeld surface analysis.http://scripts.iucr.org/cgi-bin/paper?S2056989018012173crystal structurechalconesfuranhydrogen bondingHirshfeld surfacesfingerprint plots
collection DOAJ
language English
format Article
sources DOAJ
author N. R. Sreenatha
B. N. Lakshminarayana
D. P. Ganesha
C. R. Gnanendra
spellingShingle N. R. Sreenatha
B. N. Lakshminarayana
D. P. Ganesha
C. R. Gnanendra
Crystal structure and Hirshfeld surface analysis of (E)-1-(3,5-dichloro-2-hydroxyphenyl)-3-(5-methylfuran-2-yl)prop-2-en-1-one
Acta Crystallographica Section E: Crystallographic Communications
crystal structure
chalcones
furan
hydrogen bonding
Hirshfeld surfaces
fingerprint plots
author_facet N. R. Sreenatha
B. N. Lakshminarayana
D. P. Ganesha
C. R. Gnanendra
author_sort N. R. Sreenatha
title Crystal structure and Hirshfeld surface analysis of (E)-1-(3,5-dichloro-2-hydroxyphenyl)-3-(5-methylfuran-2-yl)prop-2-en-1-one
title_short Crystal structure and Hirshfeld surface analysis of (E)-1-(3,5-dichloro-2-hydroxyphenyl)-3-(5-methylfuran-2-yl)prop-2-en-1-one
title_full Crystal structure and Hirshfeld surface analysis of (E)-1-(3,5-dichloro-2-hydroxyphenyl)-3-(5-methylfuran-2-yl)prop-2-en-1-one
title_fullStr Crystal structure and Hirshfeld surface analysis of (E)-1-(3,5-dichloro-2-hydroxyphenyl)-3-(5-methylfuran-2-yl)prop-2-en-1-one
title_full_unstemmed Crystal structure and Hirshfeld surface analysis of (E)-1-(3,5-dichloro-2-hydroxyphenyl)-3-(5-methylfuran-2-yl)prop-2-en-1-one
title_sort crystal structure and hirshfeld surface analysis of (e)-1-(3,5-dichloro-2-hydroxyphenyl)-3-(5-methylfuran-2-yl)prop-2-en-1-one
publisher International Union of Crystallography
series Acta Crystallographica Section E: Crystallographic Communications
issn 2056-9890
publishDate 2018-10-01
description The title chalcone derivative, C14H10Cl2O3, is almost planar, with a dihedral angle of 7.0 (2) ° between the 3,5-dichloro-2-hydroxyphenyl and 5-methylfuran rings. There is an intramolecular O—H...O hydrogen bond present forming an S(6) ring motif. In the crystal, molecules are linked by bifurcated C—H/H...O hydrogen bonds, enclosing an R12(6) ring motif, forming a 21 helix propagating along the b-axis direction. The intermolecular interactions were quantified using Hirshfeld surface analysis.
topic crystal structure
chalcones
furan
hydrogen bonding
Hirshfeld surfaces
fingerprint plots
url http://scripts.iucr.org/cgi-bin/paper?S2056989018012173
work_keys_str_mv AT nrsreenatha crystalstructureandhirshfeldsurfaceanalysisofe135dichloro2hydroxyphenyl35methylfuran2ylprop2en1one
AT bnlakshminarayana crystalstructureandhirshfeldsurfaceanalysisofe135dichloro2hydroxyphenyl35methylfuran2ylprop2en1one
AT dpganesha crystalstructureandhirshfeldsurfaceanalysisofe135dichloro2hydroxyphenyl35methylfuran2ylprop2en1one
AT crgnanendra crystalstructureandhirshfeldsurfaceanalysisofe135dichloro2hydroxyphenyl35methylfuran2ylprop2en1one
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