2-Amino-4-(4-chloro­phen­yl)-5-oxo-5,6,7,8-tetra­hydro-4H-chromene-3-carbonitrile

In the title moleclue, C(16)H(13)ClN(2)O(2), the cyclo­hexene ring is in a sofa conformation. The pyran ring is essentialy planar [maximum deviation = 0.038 (2) Å] and forms a dihedral angle of 89.68 (10)° with the benzene ring. In the crystal, mol­ecules are linked by pairs of N—H⋯N hydrogen bonds,...

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Autores principales: Mohamed, Shaaban K., Akkurt, Mehmet, Abdelhamid, Antar A., Singh, Kuldip, Allahverdiyev, M. A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344539/
https://www.ncbi.nlm.nih.gov/pubmed/22590301
http://dx.doi.org/10.1107/S1600536812015838
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author Mohamed, Shaaban K.
Akkurt, Mehmet
Abdelhamid, Antar A.
Singh, Kuldip
Allahverdiyev, M. A.
author_facet Mohamed, Shaaban K.
Akkurt, Mehmet
Abdelhamid, Antar A.
Singh, Kuldip
Allahverdiyev, M. A.
author_sort Mohamed, Shaaban K.
collection PubMed
description In the title moleclue, C(16)H(13)ClN(2)O(2), the cyclo­hexene ring is in a sofa conformation. The pyran ring is essentialy planar [maximum deviation = 0.038 (2) Å] and forms a dihedral angle of 89.68 (10)° with the benzene ring. In the crystal, mol­ecules are linked by pairs of N—H⋯N hydrogen bonds, forming inversion dimers with R (2) (2)(12) ring motifs. These dimers are further linked by N—H⋯O hydrogen bonds into chains along [110]. Weak C—H⋯O hydrogen bonds are also present.
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spelling pubmed-33445392012-05-15 2-Amino-4-(4-chloro­phen­yl)-5-oxo-5,6,7,8-tetra­hydro-4H-chromene-3-carbonitrile Mohamed, Shaaban K. Akkurt, Mehmet Abdelhamid, Antar A. Singh, Kuldip Allahverdiyev, M. A. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title moleclue, C(16)H(13)ClN(2)O(2), the cyclo­hexene ring is in a sofa conformation. The pyran ring is essentialy planar [maximum deviation = 0.038 (2) Å] and forms a dihedral angle of 89.68 (10)° with the benzene ring. In the crystal, mol­ecules are linked by pairs of N—H⋯N hydrogen bonds, forming inversion dimers with R (2) (2)(12) ring motifs. These dimers are further linked by N—H⋯O hydrogen bonds into chains along [110]. Weak C—H⋯O hydrogen bonds are also present. International Union of Crystallography 2012-04-18 /pmc/articles/PMC3344539/ /pubmed/22590301 http://dx.doi.org/10.1107/S1600536812015838 Text en © Mohamed et al. 2012 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 Organic Papers
Mohamed, Shaaban K.
Akkurt, Mehmet
Abdelhamid, Antar A.
Singh, Kuldip
Allahverdiyev, M. A.
2-Amino-4-(4-chloro­phen­yl)-5-oxo-5,6,7,8-tetra­hydro-4H-chromene-3-carbonitrile
title 2-Amino-4-(4-chloro­phen­yl)-5-oxo-5,6,7,8-tetra­hydro-4H-chromene-3-carbonitrile
title_full 2-Amino-4-(4-chloro­phen­yl)-5-oxo-5,6,7,8-tetra­hydro-4H-chromene-3-carbonitrile
title_fullStr 2-Amino-4-(4-chloro­phen­yl)-5-oxo-5,6,7,8-tetra­hydro-4H-chromene-3-carbonitrile
title_full_unstemmed 2-Amino-4-(4-chloro­phen­yl)-5-oxo-5,6,7,8-tetra­hydro-4H-chromene-3-carbonitrile
title_short 2-Amino-4-(4-chloro­phen­yl)-5-oxo-5,6,7,8-tetra­hydro-4H-chromene-3-carbonitrile
title_sort 2-amino-4-(4-chloro­phen­yl)-5-oxo-5,6,7,8-tetra­hydro-4h-chromene-3-carbonitrile
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344539/
https://www.ncbi.nlm.nih.gov/pubmed/22590301
http://dx.doi.org/10.1107/S1600536812015838
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