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Diethyl 1,8-bis(4-methylphenyl)-11-oxatricyclo[6.2.1.0(2,7)]undeca-2,4,6-triene-9,10-dicarboxylate
The title compound, C(30)H(30)O(5), is the Diels–Alder adduct from 1,3-diphenylbenzo[c]furan and diethyl maleate. The molecule comprises a fused tricyclic system containing two five-membered rings, which are in envelope conformations with the O atom at the flap, and a six-membered ring adopting a...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3629530/ https://www.ncbi.nlm.nih.gov/pubmed/23634048 http://dx.doi.org/10.1107/S1600536813005291 |
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author | Balakrishnan, B. Nandakumar, Meganathan Seshadri, Pandamangalam R. Mohanakrishnan, Arasambattu K. |
author_facet | Balakrishnan, B. Nandakumar, Meganathan Seshadri, Pandamangalam R. Mohanakrishnan, Arasambattu K. |
author_sort | Balakrishnan, B. |
collection | PubMed |
description | The title compound, C(30)H(30)O(5), is the Diels–Alder adduct from 1,3-diphenylbenzo[c]furan and diethyl maleate. The molecule comprises a fused tricyclic system containing two five-membered rings, which are in envelope conformations with the O atom at the flap, and a six-membered ring adopting a boat conformation. The dihedral angle between the 4-methylphenyl substituents in the 1- and 8-positions is 62.1 (1)°. The ethyl group of one ester group and the ethoxy group of the other ester group are disordered over two sets of sites, with occupancy ratios of 0.43 (2):0.57 (2) and 0.804 (7):0.196 (7), respectively. In the crystal, inversion dimers are formed through pairs of C—H⋯O interactions. |
format | Online Article Text |
id | pubmed-3629530 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-36295302013-04-30 Diethyl 1,8-bis(4-methylphenyl)-11-oxatricyclo[6.2.1.0(2,7)]undeca-2,4,6-triene-9,10-dicarboxylate Balakrishnan, B. Nandakumar, Meganathan Seshadri, Pandamangalam R. Mohanakrishnan, Arasambattu K. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(30)H(30)O(5), is the Diels–Alder adduct from 1,3-diphenylbenzo[c]furan and diethyl maleate. The molecule comprises a fused tricyclic system containing two five-membered rings, which are in envelope conformations with the O atom at the flap, and a six-membered ring adopting a boat conformation. The dihedral angle between the 4-methylphenyl substituents in the 1- and 8-positions is 62.1 (1)°. The ethyl group of one ester group and the ethoxy group of the other ester group are disordered over two sets of sites, with occupancy ratios of 0.43 (2):0.57 (2) and 0.804 (7):0.196 (7), respectively. In the crystal, inversion dimers are formed through pairs of C—H⋯O interactions. International Union of Crystallography 2013-03-06 /pmc/articles/PMC3629530/ /pubmed/23634048 http://dx.doi.org/10.1107/S1600536813005291 Text en © Balakrishnan 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 Balakrishnan, B. Nandakumar, Meganathan Seshadri, Pandamangalam R. Mohanakrishnan, Arasambattu K. Diethyl 1,8-bis(4-methylphenyl)-11-oxatricyclo[6.2.1.0(2,7)]undeca-2,4,6-triene-9,10-dicarboxylate |
title | Diethyl 1,8-bis(4-methylphenyl)-11-oxatricyclo[6.2.1.0(2,7)]undeca-2,4,6-triene-9,10-dicarboxylate |
title_full | Diethyl 1,8-bis(4-methylphenyl)-11-oxatricyclo[6.2.1.0(2,7)]undeca-2,4,6-triene-9,10-dicarboxylate |
title_fullStr | Diethyl 1,8-bis(4-methylphenyl)-11-oxatricyclo[6.2.1.0(2,7)]undeca-2,4,6-triene-9,10-dicarboxylate |
title_full_unstemmed | Diethyl 1,8-bis(4-methylphenyl)-11-oxatricyclo[6.2.1.0(2,7)]undeca-2,4,6-triene-9,10-dicarboxylate |
title_short | Diethyl 1,8-bis(4-methylphenyl)-11-oxatricyclo[6.2.1.0(2,7)]undeca-2,4,6-triene-9,10-dicarboxylate |
title_sort | diethyl 1,8-bis(4-methylphenyl)-11-oxatricyclo[6.2.1.0(2,7)]undeca-2,4,6-triene-9,10-dicarboxylate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3629530/ https://www.ncbi.nlm.nih.gov/pubmed/23634048 http://dx.doi.org/10.1107/S1600536813005291 |
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