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Santal monohydrate, an isoflavone isolated from Wyethia mollis
The title compound [systematic name: 3-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4H-chromen-4-one monohydrate], C(16)H(12)O(6)·H(2)O, is a monohydrate of a natural product santal isolated from Wyethia mollis. In the santal molecule, the dihedral angle between the benzoquinone and dihydroxy...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998461/ https://www.ncbi.nlm.nih.gov/pubmed/24764982 http://dx.doi.org/10.1107/S1600536814002670 |
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author | Knight, Kyle S. Smith, Cole T. Waddell, Thomas G. Noll, Bruce |
author_facet | Knight, Kyle S. Smith, Cole T. Waddell, Thomas G. Noll, Bruce |
author_sort | Knight, Kyle S. |
collection | PubMed |
description | The title compound [systematic name: 3-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4H-chromen-4-one monohydrate], C(16)H(12)O(6)·H(2)O, is a monohydrate of a natural product santal isolated from Wyethia mollis. In the santal molecule, the dihedral angle between the benzoquinone and dihydroxyphenyl fragments is 53.9 (1)° and an intramolecular O—H⋯O hydrogen bond occurs. In the crystal, O—H⋯O hydrogen bonds link the components into corrugated layers parallel to the ac plane. The short distance of 3.474 (5) Å between the centroids of the benzene rings in neighbouring santal molecules reveals then existence of π–π interactions within the layers. |
format | Online Article Text |
id | pubmed-3998461 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-39984612014-04-24 Santal monohydrate, an isoflavone isolated from Wyethia mollis Knight, Kyle S. Smith, Cole T. Waddell, Thomas G. Noll, Bruce Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound [systematic name: 3-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4H-chromen-4-one monohydrate], C(16)H(12)O(6)·H(2)O, is a monohydrate of a natural product santal isolated from Wyethia mollis. In the santal molecule, the dihedral angle between the benzoquinone and dihydroxyphenyl fragments is 53.9 (1)° and an intramolecular O—H⋯O hydrogen bond occurs. In the crystal, O—H⋯O hydrogen bonds link the components into corrugated layers parallel to the ac plane. The short distance of 3.474 (5) Å between the centroids of the benzene rings in neighbouring santal molecules reveals then existence of π–π interactions within the layers. International Union of Crystallography 2014-02-08 /pmc/articles/PMC3998461/ /pubmed/24764982 http://dx.doi.org/10.1107/S1600536814002670 Text en © Knight et al. 2014 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Organic Papers Knight, Kyle S. Smith, Cole T. Waddell, Thomas G. Noll, Bruce Santal monohydrate, an isoflavone isolated from Wyethia mollis |
title | Santal monohydrate, an isoflavone isolated from Wyethia mollis
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title_full | Santal monohydrate, an isoflavone isolated from Wyethia mollis
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title_fullStr | Santal monohydrate, an isoflavone isolated from Wyethia mollis
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title_full_unstemmed | Santal monohydrate, an isoflavone isolated from Wyethia mollis
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title_short | Santal monohydrate, an isoflavone isolated from Wyethia mollis
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title_sort | santal monohydrate, an isoflavone isolated from wyethia mollis |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998461/ https://www.ncbi.nlm.nih.gov/pubmed/24764982 http://dx.doi.org/10.1107/S1600536814002670 |
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