(3E)-11,16-Dioxatricyclo­[15.4.0.0(5,10)]henicosa-1(21),3,5,7,9,17,19-heptaen-2-one

The title compound, C(19)H(18)O(3), crystallizes with three mol­ecules (A, B and C) in the asymmetric unit. The carbonyl O atom shows positional disorder over two sites in mol­ecules A and B; the site-occupancy ratios are 0.76 (3):0.24 (3) and 0.86 (3):0.14 (3), respectively. The ethyl­ene fragments...

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Autores principales: Ganesh, Gnanavelu, Purushothaman, Santhanagopalan, Kannan, Piskala Subburaman, Raghunathan, Raghavachary, SubbiahPandi, Arunachalathevar
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588484/
https://www.ncbi.nlm.nih.gov/pubmed/23476611
http://dx.doi.org/10.1107/S1600536813000299
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author Ganesh, Gnanavelu
Purushothaman, Santhanagopalan
Kannan, Piskala Subburaman
Raghunathan, Raghavachary
SubbiahPandi, Arunachalathevar
author_facet Ganesh, Gnanavelu
Purushothaman, Santhanagopalan
Kannan, Piskala Subburaman
Raghunathan, Raghavachary
SubbiahPandi, Arunachalathevar
author_sort Ganesh, Gnanavelu
collection PubMed
description The title compound, C(19)H(18)O(3), crystallizes with three mol­ecules (A, B and C) in the asymmetric unit. The carbonyl O atom shows positional disorder over two sites in mol­ecules A and B; the site-occupancy ratios are 0.76 (3):0.24 (3) and 0.86 (3):0.14 (3), respectively. The ethyl­ene fragments in each mol­ecule have an E conformation, while the C—O—C—C torsion angles indicate near planarity. The dihedral angles formed by the aromatic rings are 20.0 (1), 23.7 (1) and 16.1 (1)° for mol­ecules A, B and C, respectively. Intra­molecular C—H⋯O hydrogen bonds occur in each mol­ecule.
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spelling pubmed-35884842013-03-08 (3E)-11,16-Dioxatricyclo­[15.4.0.0(5,10)]henicosa-1(21),3,5,7,9,17,19-heptaen-2-one Ganesh, Gnanavelu Purushothaman, Santhanagopalan Kannan, Piskala Subburaman Raghunathan, Raghavachary SubbiahPandi, Arunachalathevar Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(19)H(18)O(3), crystallizes with three mol­ecules (A, B and C) in the asymmetric unit. The carbonyl O atom shows positional disorder over two sites in mol­ecules A and B; the site-occupancy ratios are 0.76 (3):0.24 (3) and 0.86 (3):0.14 (3), respectively. The ethyl­ene fragments in each mol­ecule have an E conformation, while the C—O—C—C torsion angles indicate near planarity. The dihedral angles formed by the aromatic rings are 20.0 (1), 23.7 (1) and 16.1 (1)° for mol­ecules A, B and C, respectively. Intra­molecular C—H⋯O hydrogen bonds occur in each mol­ecule. International Union of Crystallography 2013-02-23 /pmc/articles/PMC3588484/ /pubmed/23476611 http://dx.doi.org/10.1107/S1600536813000299 Text en © Ganesh 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
Ganesh, Gnanavelu
Purushothaman, Santhanagopalan
Kannan, Piskala Subburaman
Raghunathan, Raghavachary
SubbiahPandi, Arunachalathevar
(3E)-11,16-Dioxatricyclo­[15.4.0.0(5,10)]henicosa-1(21),3,5,7,9,17,19-heptaen-2-one
title (3E)-11,16-Dioxatricyclo­[15.4.0.0(5,10)]henicosa-1(21),3,5,7,9,17,19-heptaen-2-one
title_full (3E)-11,16-Dioxatricyclo­[15.4.0.0(5,10)]henicosa-1(21),3,5,7,9,17,19-heptaen-2-one
title_fullStr (3E)-11,16-Dioxatricyclo­[15.4.0.0(5,10)]henicosa-1(21),3,5,7,9,17,19-heptaen-2-one
title_full_unstemmed (3E)-11,16-Dioxatricyclo­[15.4.0.0(5,10)]henicosa-1(21),3,5,7,9,17,19-heptaen-2-one
title_short (3E)-11,16-Dioxatricyclo­[15.4.0.0(5,10)]henicosa-1(21),3,5,7,9,17,19-heptaen-2-one
title_sort (3e)-11,16-dioxatricyclo­[15.4.0.0(5,10)]henicosa-1(21),3,5,7,9,17,19-heptaen-2-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588484/
https://www.ncbi.nlm.nih.gov/pubmed/23476611
http://dx.doi.org/10.1107/S1600536813000299
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