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Methyl 2-(2,2-dimethyl-3a,6a-di­hydro­furo[3,2-d][1,3]dioxol-5-yl)-4-oxo-4H-chromene-3-carboxyl­ate

In the title mol­ecule, C(18)H(16)O(7), the dioxolane ring adopts an envelope conformation with the dimethyl-substituted C atom as the flap. The furan ring is almost coplanar with the pyran ring, with a dihedral angle of 1.04 (10)° between the planes, and it makes a dihedral angle of 67.97 (11)° wit...

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Autores principales: Fatima, Zeenat, Srinivasan, Thothadri, Rao, Jonnalagadda Naga Siva, Raghunathan, Raghavachary, Velmurugan, Devadasan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3793797/
https://www.ncbi.nlm.nih.gov/pubmed/24109384
http://dx.doi.org/10.1107/S1600536813019648
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author Fatima, Zeenat
Srinivasan, Thothadri
Rao, Jonnalagadda Naga Siva
Raghunathan, Raghavachary
Velmurugan, Devadasan
author_facet Fatima, Zeenat
Srinivasan, Thothadri
Rao, Jonnalagadda Naga Siva
Raghunathan, Raghavachary
Velmurugan, Devadasan
author_sort Fatima, Zeenat
collection PubMed
description In the title mol­ecule, C(18)H(16)O(7), the dioxolane ring adopts an envelope conformation with the dimethyl-substituted C atom as the flap. The furan ring is almost coplanar with the pyran ring, with a dihedral angle of 1.04 (10)° between the planes, and it makes a dihedral angle of 67.97 (11)° with the mean plane of the dioxolane ring. The latter makes a dihedral angle of 67.15 (10)° with the pyran ring. The O atom attached to the pyran ring deviates by −0.009 (1) Å. The crystal packing features C—H⋯O hydrogen bonds, forming a three-dimensional structure. The meth­oxy­carbonyl atoms are disordered over two positions, with a refined occupancy ratio of 0.508 (18):0.492 (18).
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spelling pubmed-37937972013-10-09 Methyl 2-(2,2-dimethyl-3a,6a-di­hydro­furo[3,2-d][1,3]dioxol-5-yl)-4-oxo-4H-chromene-3-carboxyl­ate Fatima, Zeenat Srinivasan, Thothadri Rao, Jonnalagadda Naga Siva Raghunathan, Raghavachary Velmurugan, Devadasan Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title mol­ecule, C(18)H(16)O(7), the dioxolane ring adopts an envelope conformation with the dimethyl-substituted C atom as the flap. The furan ring is almost coplanar with the pyran ring, with a dihedral angle of 1.04 (10)° between the planes, and it makes a dihedral angle of 67.97 (11)° with the mean plane of the dioxolane ring. The latter makes a dihedral angle of 67.15 (10)° with the pyran ring. The O atom attached to the pyran ring deviates by −0.009 (1) Å. The crystal packing features C—H⋯O hydrogen bonds, forming a three-dimensional structure. The meth­oxy­carbonyl atoms are disordered over two positions, with a refined occupancy ratio of 0.508 (18):0.492 (18). International Union of Crystallography 2013-07-24 /pmc/articles/PMC3793797/ /pubmed/24109384 http://dx.doi.org/10.1107/S1600536813019648 Text en © Fatima et al. 2013 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
Fatima, Zeenat
Srinivasan, Thothadri
Rao, Jonnalagadda Naga Siva
Raghunathan, Raghavachary
Velmurugan, Devadasan
Methyl 2-(2,2-dimethyl-3a,6a-di­hydro­furo[3,2-d][1,3]dioxol-5-yl)-4-oxo-4H-chromene-3-carboxyl­ate
title Methyl 2-(2,2-dimethyl-3a,6a-di­hydro­furo[3,2-d][1,3]dioxol-5-yl)-4-oxo-4H-chromene-3-carboxyl­ate
title_full Methyl 2-(2,2-dimethyl-3a,6a-di­hydro­furo[3,2-d][1,3]dioxol-5-yl)-4-oxo-4H-chromene-3-carboxyl­ate
title_fullStr Methyl 2-(2,2-dimethyl-3a,6a-di­hydro­furo[3,2-d][1,3]dioxol-5-yl)-4-oxo-4H-chromene-3-carboxyl­ate
title_full_unstemmed Methyl 2-(2,2-dimethyl-3a,6a-di­hydro­furo[3,2-d][1,3]dioxol-5-yl)-4-oxo-4H-chromene-3-carboxyl­ate
title_short Methyl 2-(2,2-dimethyl-3a,6a-di­hydro­furo[3,2-d][1,3]dioxol-5-yl)-4-oxo-4H-chromene-3-carboxyl­ate
title_sort methyl 2-(2,2-dimethyl-3a,6a-di­hydro­furo[3,2-d][1,3]dioxol-5-yl)-4-oxo-4h-chromene-3-carboxyl­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3793797/
https://www.ncbi.nlm.nih.gov/pubmed/24109384
http://dx.doi.org/10.1107/S1600536813019648
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