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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...

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Autores principales: Horton, Peter N., Akkurt, Mehmet, Mohamed, Shaaban K., 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/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.
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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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