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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...

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Autores principales: Knight, Kyle S., Smith, Cole T., Waddell, Thomas G., Noll, Bruce
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
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.
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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
title_full Santal monohydrate, an isoflavone isolated from Wye­thia mollis
title_fullStr Santal monohydrate, an isoflavone isolated from Wye­thia mollis
title_full_unstemmed Santal monohydrate, an isoflavone isolated from Wye­thia mollis
title_short Santal monohydrate, an isoflavone isolated from Wye­thia mollis
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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