Ethyl 6-amino-5-cyano-2,4-bis­(4-methyl­phen­yl)-4H-pyran-3-carboxyl­ate

In the title compound, C(23)H(22)N(2)O(3), the pyran ring adopts a twisted boat conformation. The tolyl rings and carboxyl­ate group are attached to the pyran ring with torsion angles of −77.1 (2), 59.5 (3) and 17.8 (3)°, respectively. The ethyl group is disordered over two orientations with a site-...

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Detalles Bibliográficos
Autores principales: Kannan, M., Kumaravel, Kandhasamy, Vasuki, Gnanasambandam, Krishna, R.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983318/
https://www.ncbi.nlm.nih.gov/pubmed/21587527
http://dx.doi.org/10.1107/S1600536810035592
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author Kannan, M.
Kumaravel, Kandhasamy
Vasuki, Gnanasambandam
Krishna, R.
author_facet Kannan, M.
Kumaravel, Kandhasamy
Vasuki, Gnanasambandam
Krishna, R.
author_sort Kannan, M.
collection PubMed
description In the title compound, C(23)H(22)N(2)O(3), the pyran ring adopts a twisted boat conformation. The tolyl rings and carboxyl­ate group are attached to the pyran ring with torsion angles of −77.1 (2), 59.5 (3) and 17.8 (3)°, respectively. The ethyl group is disordered over two orientations with a site-occupancy ratio of 0.508 (5):0.492 (5). In the crystal, mol­ecules are linked by N—H⋯N and N—H⋯O hydrogen bonds, generating a chain running the a axis. Weak C—H⋯O, C—H⋯N and C—H⋯π inter­actions are also observed.
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spelling pubmed-29833182010-12-30 Ethyl 6-amino-5-cyano-2,4-bis­(4-methyl­phen­yl)-4H-pyran-3-carboxyl­ate Kannan, M. Kumaravel, Kandhasamy Vasuki, Gnanasambandam Krishna, R. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(23)H(22)N(2)O(3), the pyran ring adopts a twisted boat conformation. The tolyl rings and carboxyl­ate group are attached to the pyran ring with torsion angles of −77.1 (2), 59.5 (3) and 17.8 (3)°, respectively. The ethyl group is disordered over two orientations with a site-occupancy ratio of 0.508 (5):0.492 (5). In the crystal, mol­ecules are linked by N—H⋯N and N—H⋯O hydrogen bonds, generating a chain running the a axis. Weak C—H⋯O, C—H⋯N and C—H⋯π inter­actions are also observed. International Union of Crystallography 2010-09-11 /pmc/articles/PMC2983318/ /pubmed/21587527 http://dx.doi.org/10.1107/S1600536810035592 Text en © Kannan et al. 2010 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
Kannan, M.
Kumaravel, Kandhasamy
Vasuki, Gnanasambandam
Krishna, R.
Ethyl 6-amino-5-cyano-2,4-bis­(4-methyl­phen­yl)-4H-pyran-3-carboxyl­ate
title Ethyl 6-amino-5-cyano-2,4-bis­(4-methyl­phen­yl)-4H-pyran-3-carboxyl­ate
title_full Ethyl 6-amino-5-cyano-2,4-bis­(4-methyl­phen­yl)-4H-pyran-3-carboxyl­ate
title_fullStr Ethyl 6-amino-5-cyano-2,4-bis­(4-methyl­phen­yl)-4H-pyran-3-carboxyl­ate
title_full_unstemmed Ethyl 6-amino-5-cyano-2,4-bis­(4-methyl­phen­yl)-4H-pyran-3-carboxyl­ate
title_short Ethyl 6-amino-5-cyano-2,4-bis­(4-methyl­phen­yl)-4H-pyran-3-carboxyl­ate
title_sort ethyl 6-amino-5-cyano-2,4-bis­(4-methyl­phen­yl)-4h-pyran-3-carboxyl­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983318/
https://www.ncbi.nlm.nih.gov/pubmed/21587527
http://dx.doi.org/10.1107/S1600536810035592
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AT kumaravelkandhasamy ethyl6amino5cyano24bis4methylphenyl4hpyran3carboxylate
AT vasukignanasambandam ethyl6amino5cyano24bis4methylphenyl4hpyran3carboxylate
AT krishnar ethyl6amino5cyano24bis4methylphenyl4hpyran3carboxylate

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