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Crystal structure of the tri­ethyl­ammonium salt of 3-[(4-hy­droxy-3-meth­oxy­phen­yl)(4-hy­droxy-2-oxo-2H-chromen-3-yl)meth­yl]-2-oxo-2H-chromen-4-olate

The reaction between 3,3′-[(3-meth­oxy-4-hy­droxy­phen­yl)methanedi­yl]bis­(4-hy­droxy-2H-chromen-2-one) and tri­ethyl­amine in methanol yielded the title compound tri­ethyl­ammonium 3-[(4-hy­droxy-3-meth­oxy­phen­yl)(4-hy­droxy-2-oxo-2H-chromen-3-yl)meth­yl]-2-oxo-2H-chromen-4-olate, C(6)H(16)N(+)·...

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Detalles Bibliográficos
Autores principales: Ikram, Muhammad, Rehman, Sadia, Khan, Afzal, Schulzke, Carola
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5947787/
https://www.ncbi.nlm.nih.gov/pubmed/29765707
http://dx.doi.org/10.1107/S2056989018001561
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author Ikram, Muhammad
Rehman, Sadia
Khan, Afzal
Schulzke, Carola
author_facet Ikram, Muhammad
Rehman, Sadia
Khan, Afzal
Schulzke, Carola
author_sort Ikram, Muhammad
collection PubMed
description The reaction between 3,3′-[(3-meth­oxy-4-hy­droxy­phen­yl)methanedi­yl]bis­(4-hy­droxy-2H-chromen-2-one) and tri­ethyl­amine in methanol yielded the title compound tri­ethyl­ammonium 3-[(4-hy­droxy-3-meth­oxy­phen­yl)(4-hy­droxy-2-oxo-2H-chromen-3-yl)meth­yl]-2-oxo-2H-chromen-4-olate, C(6)H(16)N(+)·C(26)H(17)O(8) (−) or (NHEt(3))(+)(C(26)H(17)O(8))(−), which crystallized directly from its methano­lic mother liquor. The non-deprotonated coumarol substituent shares its H atom with the deprotonated coumarolate substituent in a short negative charge-assisted hydrogen bond in which the freely refined H atom is moved from its parent O atom towards the acceptor O atom, elongating the covalent O—H bond to 1.18 (3) Å. The respective H atom can therefore be described as being shared by two alcohol O atoms, culminating in the formation of an eight-membered ring.
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spelling pubmed-59477872018-05-15 Crystal structure of the tri­ethyl­ammonium salt of 3-[(4-hy­droxy-3-meth­oxy­phen­yl)(4-hy­droxy-2-oxo-2H-chromen-3-yl)meth­yl]-2-oxo-2H-chromen-4-olate Ikram, Muhammad Rehman, Sadia Khan, Afzal Schulzke, Carola Acta Crystallogr E Crystallogr Commun Research Communications The reaction between 3,3′-[(3-meth­oxy-4-hy­droxy­phen­yl)methanedi­yl]bis­(4-hy­droxy-2H-chromen-2-one) and tri­ethyl­amine in methanol yielded the title compound tri­ethyl­ammonium 3-[(4-hy­droxy-3-meth­oxy­phen­yl)(4-hy­droxy-2-oxo-2H-chromen-3-yl)meth­yl]-2-oxo-2H-chromen-4-olate, C(6)H(16)N(+)·C(26)H(17)O(8) (−) or (NHEt(3))(+)(C(26)H(17)O(8))(−), which crystallized directly from its methano­lic mother liquor. The non-deprotonated coumarol substituent shares its H atom with the deprotonated coumarolate substituent in a short negative charge-assisted hydrogen bond in which the freely refined H atom is moved from its parent O atom towards the acceptor O atom, elongating the covalent O—H bond to 1.18 (3) Å. The respective H atom can therefore be described as being shared by two alcohol O atoms, culminating in the formation of an eight-membered ring. International Union of Crystallography 2018-02-02 /pmc/articles/PMC5947787/ /pubmed/29765707 http://dx.doi.org/10.1107/S2056989018001561 Text en © Ikram et al. 2018 http://creativecommons.org/licenses/by/2.0/uk/ 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/2.0/uk/
spellingShingle Research Communications
Ikram, Muhammad
Rehman, Sadia
Khan, Afzal
Schulzke, Carola
Crystal structure of the tri­ethyl­ammonium salt of 3-[(4-hy­droxy-3-meth­oxy­phen­yl)(4-hy­droxy-2-oxo-2H-chromen-3-yl)meth­yl]-2-oxo-2H-chromen-4-olate
title Crystal structure of the tri­ethyl­ammonium salt of 3-[(4-hy­droxy-3-meth­oxy­phen­yl)(4-hy­droxy-2-oxo-2H-chromen-3-yl)meth­yl]-2-oxo-2H-chromen-4-olate
title_full Crystal structure of the tri­ethyl­ammonium salt of 3-[(4-hy­droxy-3-meth­oxy­phen­yl)(4-hy­droxy-2-oxo-2H-chromen-3-yl)meth­yl]-2-oxo-2H-chromen-4-olate
title_fullStr Crystal structure of the tri­ethyl­ammonium salt of 3-[(4-hy­droxy-3-meth­oxy­phen­yl)(4-hy­droxy-2-oxo-2H-chromen-3-yl)meth­yl]-2-oxo-2H-chromen-4-olate
title_full_unstemmed Crystal structure of the tri­ethyl­ammonium salt of 3-[(4-hy­droxy-3-meth­oxy­phen­yl)(4-hy­droxy-2-oxo-2H-chromen-3-yl)meth­yl]-2-oxo-2H-chromen-4-olate
title_short Crystal structure of the tri­ethyl­ammonium salt of 3-[(4-hy­droxy-3-meth­oxy­phen­yl)(4-hy­droxy-2-oxo-2H-chromen-3-yl)meth­yl]-2-oxo-2H-chromen-4-olate
title_sort crystal structure of the tri­ethyl­ammonium salt of 3-[(4-hy­droxy-3-meth­oxy­phen­yl)(4-hy­droxy-2-oxo-2h-chromen-3-yl)meth­yl]-2-oxo-2h-chromen-4-olate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5947787/
https://www.ncbi.nlm.nih.gov/pubmed/29765707
http://dx.doi.org/10.1107/S2056989018001561
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