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Crystal, molecular structure and Hirshheld surface analysis of 5-hydroxy-3,6,7,8-tetramethoxyflavone
The title compound (systematic name: 5-hydroxy-3,6,7,8-tetramethoxy-2-phenyl-4H-chromen-4-one), C(19)H(18)O(7), is a flavone that was isolated from a butanol extract of the herb Scutellaria nepetoides M. Pop. The flavone molecule is almost planar, with a dihedral angle between the planes of the ben...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2020
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7643244/ https://www.ncbi.nlm.nih.gov/pubmed/33209346 http://dx.doi.org/10.1107/S2056989020013596 |
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author | Aisa, Haji Akber Izotova, Lidiya Karimov, Abdurashid Botirov, Erkin Mamadrahimov, Azimjon Ibragimov, Bahtiyar |
author_facet | Aisa, Haji Akber Izotova, Lidiya Karimov, Abdurashid Botirov, Erkin Mamadrahimov, Azimjon Ibragimov, Bahtiyar |
author_sort | Aisa, Haji Akber |
collection | PubMed |
description | The title compound (systematic name: 5-hydroxy-3,6,7,8-tetramethoxy-2-phenyl-4H-chromen-4-one), C(19)H(18)O(7), is a flavone that was isolated from a butanol extract of the herb Scutellaria nepetoides M. Pop. The flavone molecule is almost planar, with a dihedral angle between the planes of the benzopyran-4-one group and the attached phenyl ring of 6.4 (4)°. The 5-hydroxy group forms a strong intramolecular hydrogen bond with the carbonyl group, resulting in a six-membered hydrogen-bonded ring. The crystal structure has triclinic (P [Image: see text]) symmetry. In the crystal, the molecules are linked by C—H⋯O hydrogen bonds into a two dimensional network parallel to the ab plane. The Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from H⋯H (53.9%) and H⋯O/O⋯H (20.9%) interactions. |
format | Online Article Text |
id | pubmed-7643244 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-76432442020-11-17 Crystal, molecular structure and Hirshheld surface analysis of 5-hydroxy-3,6,7,8-tetramethoxyflavone Aisa, Haji Akber Izotova, Lidiya Karimov, Abdurashid Botirov, Erkin Mamadrahimov, Azimjon Ibragimov, Bahtiyar Acta Crystallogr E Crystallogr Commun Research Communications The title compound (systematic name: 5-hydroxy-3,6,7,8-tetramethoxy-2-phenyl-4H-chromen-4-one), C(19)H(18)O(7), is a flavone that was isolated from a butanol extract of the herb Scutellaria nepetoides M. Pop. The flavone molecule is almost planar, with a dihedral angle between the planes of the benzopyran-4-one group and the attached phenyl ring of 6.4 (4)°. The 5-hydroxy group forms a strong intramolecular hydrogen bond with the carbonyl group, resulting in a six-membered hydrogen-bonded ring. The crystal structure has triclinic (P [Image: see text]) symmetry. In the crystal, the molecules are linked by C—H⋯O hydrogen bonds into a two dimensional network parallel to the ab plane. The Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from H⋯H (53.9%) and H⋯O/O⋯H (20.9%) interactions. International Union of Crystallography 2020-10-13 /pmc/articles/PMC7643244/ /pubmed/33209346 http://dx.doi.org/10.1107/S2056989020013596 Text en © Aisa et al. 2020 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/ |
spellingShingle | Research Communications Aisa, Haji Akber Izotova, Lidiya Karimov, Abdurashid Botirov, Erkin Mamadrahimov, Azimjon Ibragimov, Bahtiyar Crystal, molecular structure and Hirshheld surface analysis of 5-hydroxy-3,6,7,8-tetramethoxyflavone |
title | Crystal, molecular structure and Hirshheld surface analysis of 5-hydroxy-3,6,7,8-tetramethoxyflavone |
title_full | Crystal, molecular structure and Hirshheld surface analysis of 5-hydroxy-3,6,7,8-tetramethoxyflavone |
title_fullStr | Crystal, molecular structure and Hirshheld surface analysis of 5-hydroxy-3,6,7,8-tetramethoxyflavone |
title_full_unstemmed | Crystal, molecular structure and Hirshheld surface analysis of 5-hydroxy-3,6,7,8-tetramethoxyflavone |
title_short | Crystal, molecular structure and Hirshheld surface analysis of 5-hydroxy-3,6,7,8-tetramethoxyflavone |
title_sort | crystal, molecular structure and hirshheld surface analysis of 5-hydroxy-3,6,7,8-tetramethoxyflavone |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7643244/ https://www.ncbi.nlm.nih.gov/pubmed/33209346 http://dx.doi.org/10.1107/S2056989020013596 |
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