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Crystal structure of 2-amino-7-hydroxy-4-(4-hydroxyphenyl)-4H-chromene-3-carbonitrile
In the title compound, C(16)H(12)N(2)O(3), the chromene ring system is nearly planar [maximum deviation from the mean plane = 0.057 (1) Å], and is almost perpendicular to the benzene ring, with a dihedral angle of 85.29 (5)°. In the crystal, molecules are linked by classical N—H⋯O, O—H⋯O and O—H⋯N...
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/PMC4571389/ https://www.ncbi.nlm.nih.gov/pubmed/26396789 http://dx.doi.org/10.1107/S2056989015012815 |
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author | Horton, Peter N. Akkurt, Mehmet Mohamed, Shaaban K. Younes, Sabry H. H. Albayati, Mustafa R. |
author_facet | Horton, Peter N. Akkurt, Mehmet Mohamed, Shaaban K. Younes, Sabry H. H. Albayati, Mustafa R. |
author_sort | Horton, Peter N. |
collection | PubMed |
description | In the title compound, C(16)H(12)N(2)O(3), the chromene ring system is nearly planar [maximum deviation from the mean plane = 0.057 (1) Å], and is almost perpendicular to the benzene ring, with a dihedral angle of 85.29 (5)°. In the crystal, molecules are linked by classical N—H⋯O, O—H⋯O and O—H⋯N hydrogen bonds, and weak C—H⋯O hydrogen bonds, forming a three-dimensional supramolecular network. Furthermore, a weak π–π stacking interaction is observed; the centroid-to-centroid distance is 3.7260 (7) Å. |
format | Online Article Text |
id | pubmed-4571389 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-45713892015-09-22 Crystal structure of 2-amino-7-hydroxy-4-(4-hydroxyphenyl)-4H-chromene-3-carbonitrile Horton, Peter N. Akkurt, Mehmet Mohamed, Shaaban K. Younes, Sabry H. H. Albayati, Mustafa R. Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(16)H(12)N(2)O(3), the chromene ring system is nearly planar [maximum deviation from the mean plane = 0.057 (1) Å], and is almost perpendicular to the benzene ring, with a dihedral angle of 85.29 (5)°. In the crystal, molecules are linked by classical N—H⋯O, O—H⋯O and O—H⋯N hydrogen bonds, and weak C—H⋯O hydrogen bonds, forming a three-dimensional supramolecular network. Furthermore, a weak π–π stacking interaction is observed; the centroid-to-centroid distance is 3.7260 (7) Å. International Union of Crystallography 2015-07-08 /pmc/articles/PMC4571389/ /pubmed/26396789 http://dx.doi.org/10.1107/S2056989015012815 Text en © Horton 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 Horton, Peter N. Akkurt, Mehmet Mohamed, Shaaban K. Younes, Sabry H. H. Albayati, Mustafa R. Crystal structure of 2-amino-7-hydroxy-4-(4-hydroxyphenyl)-4H-chromene-3-carbonitrile |
title | Crystal structure of 2-amino-7-hydroxy-4-(4-hydroxyphenyl)-4H-chromene-3-carbonitrile |
title_full | Crystal structure of 2-amino-7-hydroxy-4-(4-hydroxyphenyl)-4H-chromene-3-carbonitrile |
title_fullStr | Crystal structure of 2-amino-7-hydroxy-4-(4-hydroxyphenyl)-4H-chromene-3-carbonitrile |
title_full_unstemmed | Crystal structure of 2-amino-7-hydroxy-4-(4-hydroxyphenyl)-4H-chromene-3-carbonitrile |
title_short | Crystal structure of 2-amino-7-hydroxy-4-(4-hydroxyphenyl)-4H-chromene-3-carbonitrile |
title_sort | crystal structure of 2-amino-7-hydroxy-4-(4-hydroxyphenyl)-4h-chromene-3-carbonitrile |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4571389/ https://www.ncbi.nlm.nih.gov/pubmed/26396789 http://dx.doi.org/10.1107/S2056989015012815 |
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