Crystal structure of 3-amino-1-(4-chloro­phen­yl)-1H-benzo[f]chromene-2-carbo­nitrile

In the title compound, C(20)H(13)ClN(2)O, the chloro­benzene ring is almost perpendicular to the mean plane of the naphthalene ring system, making a dihedral angle of 81.26 (8)°. The 4H-pyran ring fused with the naphthalene ring system has a flattened boat conformation. In the crystal, N—H⋯N hydroge...

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Autores principales: Akkurt, Mehmet, Horton, Peter N., Mohamed, Shaaban K., Younes, Sabry H. H., Albayati, Mustafa R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4518915/
https://www.ncbi.nlm.nih.gov/pubmed/26279919
http://dx.doi.org/10.1107/S2056989015011159
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author Akkurt, Mehmet
Horton, Peter N.
Mohamed, Shaaban K.
Younes, Sabry H. H.
Albayati, Mustafa R.
author_facet Akkurt, Mehmet
Horton, Peter N.
Mohamed, Shaaban K.
Younes, Sabry H. H.
Albayati, Mustafa R.
author_sort Akkurt, Mehmet
collection PubMed
description In the title compound, C(20)H(13)ClN(2)O, the chloro­benzene ring is almost perpendicular to the mean plane of the naphthalene ring system, making a dihedral angle of 81.26 (8)°. The 4H-pyran ring fused with the naphthalene ring system has a flattened boat conformation. In the crystal, N—H⋯N hydrogen bonds generate chains along the b-axis direction. Further N—H⋯N hydrogen bonds link these chains into sheets parallel to (010). The crystal packing also features C—H⋯π inter­actions. The crystal studied was an inversion twin with a 0.557 (16):0.443 (16) domain ratio.
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spelling pubmed-45189152015-08-14 Crystal structure of 3-amino-1-(4-chloro­phen­yl)-1H-benzo[f]chromene-2-carbo­nitrile Akkurt, Mehmet Horton, Peter N. Mohamed, Shaaban K. Younes, Sabry H. H. Albayati, Mustafa R. Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(20)H(13)ClN(2)O, the chloro­benzene ring is almost perpendicular to the mean plane of the naphthalene ring system, making a dihedral angle of 81.26 (8)°. The 4H-pyran ring fused with the naphthalene ring system has a flattened boat conformation. In the crystal, N—H⋯N hydrogen bonds generate chains along the b-axis direction. Further N—H⋯N hydrogen bonds link these chains into sheets parallel to (010). The crystal packing also features C—H⋯π inter­actions. The crystal studied was an inversion twin with a 0.557 (16):0.443 (16) domain ratio. International Union of Crystallography 2015-06-13 /pmc/articles/PMC4518915/ /pubmed/26279919 http://dx.doi.org/10.1107/S2056989015011159 Text en © Akkurt 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
Akkurt, Mehmet
Horton, Peter N.
Mohamed, Shaaban K.
Younes, Sabry H. H.
Albayati, Mustafa R.
Crystal structure of 3-amino-1-(4-chloro­phen­yl)-1H-benzo[f]chromene-2-carbo­nitrile
title Crystal structure of 3-amino-1-(4-chloro­phen­yl)-1H-benzo[f]chromene-2-carbo­nitrile
title_full Crystal structure of 3-amino-1-(4-chloro­phen­yl)-1H-benzo[f]chromene-2-carbo­nitrile
title_fullStr Crystal structure of 3-amino-1-(4-chloro­phen­yl)-1H-benzo[f]chromene-2-carbo­nitrile
title_full_unstemmed Crystal structure of 3-amino-1-(4-chloro­phen­yl)-1H-benzo[f]chromene-2-carbo­nitrile
title_short Crystal structure of 3-amino-1-(4-chloro­phen­yl)-1H-benzo[f]chromene-2-carbo­nitrile
title_sort crystal structure of 3-amino-1-(4-chloro­phen­yl)-1h-benzo[f]chromene-2-carbo­nitrile
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4518915/
https://www.ncbi.nlm.nih.gov/pubmed/26279919
http://dx.doi.org/10.1107/S2056989015011159
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