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Crystal structure of ethyl (4R)-2-amino-7-hy­droxy-4-phenyl-4H-chromene-3-carboxyl­ate

In the title compound, C(18)H(17)NO(4), the dihedral angle between the phenyl ring and the fused six-membered ring is 77.65 (4)°. The conformation of the mol­ecule is determined in part by an intra­molecular N—H⋯O hydrogen bond between the amino H atom and the carbonyl O atom, forming an S(6) motif....

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Autores principales: Mague, Joel T., Mohamed, Shaaban K., Akkurt, Mehmet, Younes, Sabry H. H., Albayati, Mustafa R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4518989/
https://www.ncbi.nlm.nih.gov/pubmed/26279941
http://dx.doi.org/10.1107/S2056989015012013
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author Mague, Joel T.
Mohamed, Shaaban K.
Akkurt, Mehmet
Younes, Sabry H. H.
Albayati, Mustafa R.
author_facet Mague, Joel T.
Mohamed, Shaaban K.
Akkurt, Mehmet
Younes, Sabry H. H.
Albayati, Mustafa R.
author_sort Mague, Joel T.
collection PubMed
description In the title compound, C(18)H(17)NO(4), the dihedral angle between the phenyl ring and the fused six-membered ring is 77.65 (4)°. The conformation of the mol­ecule is determined in part by an intra­molecular N—H⋯O hydrogen bond between the amino H atom and the carbonyl O atom, forming an S(6) motif. In the crystal, mol­ecules are linked into N—H⋯O hydrogen-bonded inversion dimers which are then connected into chains along [001], forming a two-dimensional network parallel to (100) via O—H⋯O hydrogen bonds. C—H⋯O interactions further contribute to the crystal stability. The ethyl group is disordered over two sets of sites in a 0.801 (5):0.199 (5) ratio.
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spelling pubmed-45189892015-08-14 Crystal structure of ethyl (4R)-2-amino-7-hy­droxy-4-phenyl-4H-chromene-3-carboxyl­ate Mague, Joel T. Mohamed, Shaaban K. Akkurt, Mehmet Younes, Sabry H. H. Albayati, Mustafa R. Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(18)H(17)NO(4), the dihedral angle between the phenyl ring and the fused six-membered ring is 77.65 (4)°. The conformation of the mol­ecule is determined in part by an intra­molecular N—H⋯O hydrogen bond between the amino H atom and the carbonyl O atom, forming an S(6) motif. In the crystal, mol­ecules are linked into N—H⋯O hydrogen-bonded inversion dimers which are then connected into chains along [001], forming a two-dimensional network parallel to (100) via O—H⋯O hydrogen bonds. C—H⋯O interactions further contribute to the crystal stability. The ethyl group is disordered over two sets of sites in a 0.801 (5):0.199 (5) ratio. International Union of Crystallography 2015-06-27 /pmc/articles/PMC4518989/ /pubmed/26279941 http://dx.doi.org/10.1107/S2056989015012013 Text en © Mague et al. 2015 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 Data Reports
Mague, Joel T.
Mohamed, Shaaban K.
Akkurt, Mehmet
Younes, Sabry H. H.
Albayati, Mustafa R.
Crystal structure of ethyl (4R)-2-amino-7-hy­droxy-4-phenyl-4H-chromene-3-carboxyl­ate
title Crystal structure of ethyl (4R)-2-amino-7-hy­droxy-4-phenyl-4H-chromene-3-carboxyl­ate
title_full Crystal structure of ethyl (4R)-2-amino-7-hy­droxy-4-phenyl-4H-chromene-3-carboxyl­ate
title_fullStr Crystal structure of ethyl (4R)-2-amino-7-hy­droxy-4-phenyl-4H-chromene-3-carboxyl­ate
title_full_unstemmed Crystal structure of ethyl (4R)-2-amino-7-hy­droxy-4-phenyl-4H-chromene-3-carboxyl­ate
title_short Crystal structure of ethyl (4R)-2-amino-7-hy­droxy-4-phenyl-4H-chromene-3-carboxyl­ate
title_sort crystal structure of ethyl (4r)-2-amino-7-hy­droxy-4-phenyl-4h-chromene-3-carboxyl­ate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4518989/
https://www.ncbi.nlm.nih.gov/pubmed/26279941
http://dx.doi.org/10.1107/S2056989015012013
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