rac-Dimethyl 2-(tert-butyl­amino)-5-oxo-4,5-dihydro­pyrano[3,2-c]chromene-3,4-dicarboxyl­ate

The title compound, C(20)H(21)NO(7), is asymmetric with a chiral centre located in the pyran ring and crystallizes as a racemate. The mol­ecular framework is somewhat bent; the coumarin moiety and the pyran ring are inclined by 7.85 (5)°. The mol­ecular structure is characterized by an intra­molecul...

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Autores principales: Inglebert, S. Antony, Sethusankar, K., Arun, Yuvaraj, Perumal, Paramasivam T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3247363/
https://www.ncbi.nlm.nih.gov/pubmed/22219981
http://dx.doi.org/10.1107/S1600536811041493
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author Inglebert, S. Antony
Sethusankar, K.
Arun, Yuvaraj
Perumal, Paramasivam T.
author_facet Inglebert, S. Antony
Sethusankar, K.
Arun, Yuvaraj
Perumal, Paramasivam T.
author_sort Inglebert, S. Antony
collection PubMed
description The title compound, C(20)H(21)NO(7), is asymmetric with a chiral centre located in the pyran ring and crystallizes as a racemate. The mol­ecular framework is somewhat bent; the coumarin moiety and the pyran ring are inclined by 7.85 (5)°. The mol­ecular structure is characterized by an intra­molecular N—H⋯O hydrogen bond, which generates an S(6) ring motif, and the crystal packing is stabilized by inter­molecular C—H⋯O hydrogen bonds. The 3-carboxyl­ate O atom is involved in both of them, having a bifurcated character.
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spelling pubmed-32473632012-01-04 rac-Dimethyl 2-(tert-butyl­amino)-5-oxo-4,5-dihydro­pyrano[3,2-c]chromene-3,4-dicarboxyl­ate Inglebert, S. Antony Sethusankar, K. Arun, Yuvaraj Perumal, Paramasivam T. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(20)H(21)NO(7), is asymmetric with a chiral centre located in the pyran ring and crystallizes as a racemate. The mol­ecular framework is somewhat bent; the coumarin moiety and the pyran ring are inclined by 7.85 (5)°. The mol­ecular structure is characterized by an intra­molecular N—H⋯O hydrogen bond, which generates an S(6) ring motif, and the crystal packing is stabilized by inter­molecular C—H⋯O hydrogen bonds. The 3-carboxyl­ate O atom is involved in both of them, having a bifurcated character. International Union of Crystallography 2011-10-12 /pmc/articles/PMC3247363/ /pubmed/22219981 http://dx.doi.org/10.1107/S1600536811041493 Text en © Inglebert et al. 2011 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
Inglebert, S. Antony
Sethusankar, K.
Arun, Yuvaraj
Perumal, Paramasivam T.
rac-Dimethyl 2-(tert-butyl­amino)-5-oxo-4,5-dihydro­pyrano[3,2-c]chromene-3,4-dicarboxyl­ate
title rac-Dimethyl 2-(tert-butyl­amino)-5-oxo-4,5-dihydro­pyrano[3,2-c]chromene-3,4-dicarboxyl­ate
title_full rac-Dimethyl 2-(tert-butyl­amino)-5-oxo-4,5-dihydro­pyrano[3,2-c]chromene-3,4-dicarboxyl­ate
title_fullStr rac-Dimethyl 2-(tert-butyl­amino)-5-oxo-4,5-dihydro­pyrano[3,2-c]chromene-3,4-dicarboxyl­ate
title_full_unstemmed rac-Dimethyl 2-(tert-butyl­amino)-5-oxo-4,5-dihydro­pyrano[3,2-c]chromene-3,4-dicarboxyl­ate
title_short rac-Dimethyl 2-(tert-butyl­amino)-5-oxo-4,5-dihydro­pyrano[3,2-c]chromene-3,4-dicarboxyl­ate
title_sort rac-dimethyl 2-(tert-butyl­amino)-5-oxo-4,5-dihydro­pyrano[3,2-c]chromene-3,4-dicarboxyl­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3247363/
https://www.ncbi.nlm.nih.gov/pubmed/22219981
http://dx.doi.org/10.1107/S1600536811041493
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AT arunyuvaraj racdimethyl2tertbutylamino5oxo45dihydropyrano32cchromene34dicarboxylate
AT perumalparamasivamt racdimethyl2tertbutylamino5oxo45dihydropyrano32cchromene34dicarboxylate

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