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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....
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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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. |
format | Online Article Text |
id | pubmed-4518989 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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