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

In the title compound, C(20)H(18)O(7), the dioxolane ring adopts an envelope conformation with the dimethyl-substituted C atom as the flap, and its mean plane makes a dihedral angle of 73.25 (2)° with the pyran ring mean plane. The furan ring makes dihedral angles of 67.43 (12) and 6.20 (11)° with t...

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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/PMC3793755/
https://www.ncbi.nlm.nih.gov/pubmed/24109342
http://dx.doi.org/10.1107/S1600536813018904
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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 compound, C(20)H(18)O(7), the dioxolane ring adopts an envelope conformation with the dimethyl-substituted C atom as the flap, and its mean plane makes a dihedral angle of 73.25 (2)° with the pyran ring mean plane. The furan ring makes dihedral angles of 67.43 (12) and 6.20 (11)° with the mean plane of the dioxolane and pyran rings, respectively. The O atom attached to the pyran ring deviates by 0.0219 (2) Å from its mean plane. In the crystal, mol­ecules are linked via C—H⋯O hydrogen bonds, forming chains along [010] and enclosing R (2) (2)(9) loops. They stack along the a axis with π–π inter­actions involving the 4H-chromene units [centroid–centroid distances of 3.6389 (13) and 3.6555 (13) Å]. The terminal CH(2)=CH- atoms of the allyl acetate group are disordered over two sets of sites with a refined occupancy ratio of 0.717 (6):0.283 (6).
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spelling pubmed-37937552013-10-09 Allyl 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 compound, C(20)H(18)O(7), the dioxolane ring adopts an envelope conformation with the dimethyl-substituted C atom as the flap, and its mean plane makes a dihedral angle of 73.25 (2)° with the pyran ring mean plane. The furan ring makes dihedral angles of 67.43 (12) and 6.20 (11)° with the mean plane of the dioxolane and pyran rings, respectively. The O atom attached to the pyran ring deviates by 0.0219 (2) Å from its mean plane. In the crystal, mol­ecules are linked via C—H⋯O hydrogen bonds, forming chains along [010] and enclosing R (2) (2)(9) loops. They stack along the a axis with π–π inter­actions involving the 4H-chromene units [centroid–centroid distances of 3.6389 (13) and 3.6555 (13) Å]. The terminal CH(2)=CH- atoms of the allyl acetate group are disordered over two sets of sites with a refined occupancy ratio of 0.717 (6):0.283 (6). International Union of Crystallography 2013-07-13 /pmc/articles/PMC3793755/ /pubmed/24109342 http://dx.doi.org/10.1107/S1600536813018904 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
Allyl 2-(2,2-dimethyl-3a,6a-di­hydro­furo[3,2-d][1,3]dioxol-5-yl)-4-oxo-4H-chromene-3-carboxyl­ate
title Allyl 2-(2,2-dimethyl-3a,6a-di­hydro­furo[3,2-d][1,3]dioxol-5-yl)-4-oxo-4H-chromene-3-carboxyl­ate
title_full Allyl 2-(2,2-dimethyl-3a,6a-di­hydro­furo[3,2-d][1,3]dioxol-5-yl)-4-oxo-4H-chromene-3-carboxyl­ate
title_fullStr Allyl 2-(2,2-dimethyl-3a,6a-di­hydro­furo[3,2-d][1,3]dioxol-5-yl)-4-oxo-4H-chromene-3-carboxyl­ate
title_full_unstemmed Allyl 2-(2,2-dimethyl-3a,6a-di­hydro­furo[3,2-d][1,3]dioxol-5-yl)-4-oxo-4H-chromene-3-carboxyl­ate
title_short Allyl 2-(2,2-dimethyl-3a,6a-di­hydro­furo[3,2-d][1,3]dioxol-5-yl)-4-oxo-4H-chromene-3-carboxyl­ate
title_sort allyl 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/PMC3793755/
https://www.ncbi.nlm.nih.gov/pubmed/24109342
http://dx.doi.org/10.1107/S1600536813018904
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