8,8-Diethyl-1,4,5,8-tetra­hydro­naphthalene-1,4,5-trione

The title mol­ecule, C(14)H(14)O(3), contains two fused six-membered carbon rings with keto groups at positions 1, 4 and 5 and a gem-diethyl group at position 8. The mol­ecule is close to planar (maximum deviation = 0.044 Å), with one ethyl group at each side of the mol­ecular plane, with exception...

Descripción completa

Detalles Bibliográficos
Autores principales: Vega, Andrés, Ramirez-Rodríguez, Oney, Martínez-Cifuentes, Maximiliano, Ibañez, Andrés, Araya-Maturana, Ramiro
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968259/
https://www.ncbi.nlm.nih.gov/pubmed/21581946
http://dx.doi.org/10.1107/S1600536809001755
_version_ 1782189821429547008
author Vega, Andrés
Ramirez-Rodríguez, Oney
Martínez-Cifuentes, Maximiliano
Ibañez, Andrés
Araya-Maturana, Ramiro
author_facet Vega, Andrés
Ramirez-Rodríguez, Oney
Martínez-Cifuentes, Maximiliano
Ibañez, Andrés
Araya-Maturana, Ramiro
author_sort Vega, Andrés
collection PubMed
description The title mol­ecule, C(14)H(14)O(3), contains two fused six-membered carbon rings with keto groups at positions 1, 4 and 5 and a gem-diethyl group at position 8. The mol­ecule is close to planar (maximum deviation = 0.044 Å), with one ethyl group at each side of the mol­ecular plane, with exception of the keto group at position 1 which is slightly deviated from the plane and disordered over two positions one on each side of it (occupancies 0.80/0.20). The packing of the mol­ecule shows weak bonded chains along a through C—H⋯O contacts and two intramolecular C—H⋯O interactions are also present.
format Text
id pubmed-2968259
institution National Center for Biotechnology Information
language English
publishDate 2009
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-29682592010-12-30 8,8-Diethyl-1,4,5,8-tetra­hydro­naphthalene-1,4,5-trione Vega, Andrés Ramirez-Rodríguez, Oney Martínez-Cifuentes, Maximiliano Ibañez, Andrés Araya-Maturana, Ramiro Acta Crystallogr Sect E Struct Rep Online Organic Papers The title mol­ecule, C(14)H(14)O(3), contains two fused six-membered carbon rings with keto groups at positions 1, 4 and 5 and a gem-diethyl group at position 8. The mol­ecule is close to planar (maximum deviation = 0.044 Å), with one ethyl group at each side of the mol­ecular plane, with exception of the keto group at position 1 which is slightly deviated from the plane and disordered over two positions one on each side of it (occupancies 0.80/0.20). The packing of the mol­ecule shows weak bonded chains along a through C—H⋯O contacts and two intramolecular C—H⋯O interactions are also present. International Union of Crystallography 2009-01-17 /pmc/articles/PMC2968259/ /pubmed/21581946 http://dx.doi.org/10.1107/S1600536809001755 Text en © Vega et al. 2009 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
Vega, Andrés
Ramirez-Rodríguez, Oney
Martínez-Cifuentes, Maximiliano
Ibañez, Andrés
Araya-Maturana, Ramiro
8,8-Diethyl-1,4,5,8-tetra­hydro­naphthalene-1,4,5-trione
title 8,8-Diethyl-1,4,5,8-tetra­hydro­naphthalene-1,4,5-trione
title_full 8,8-Diethyl-1,4,5,8-tetra­hydro­naphthalene-1,4,5-trione
title_fullStr 8,8-Diethyl-1,4,5,8-tetra­hydro­naphthalene-1,4,5-trione
title_full_unstemmed 8,8-Diethyl-1,4,5,8-tetra­hydro­naphthalene-1,4,5-trione
title_short 8,8-Diethyl-1,4,5,8-tetra­hydro­naphthalene-1,4,5-trione
title_sort 8,8-diethyl-1,4,5,8-tetra­hydro­naphthalene-1,4,5-trione
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968259/
https://www.ncbi.nlm.nih.gov/pubmed/21581946
http://dx.doi.org/10.1107/S1600536809001755
work_keys_str_mv AT vegaandres 88diethyl1458tetrahydronaphthalene145trione
AT ramirezrodriguezoney 88diethyl1458tetrahydronaphthalene145trione
AT martinezcifuentesmaximiliano 88diethyl1458tetrahydronaphthalene145trione
AT ibanezandres 88diethyl1458tetrahydronaphthalene145trione
AT arayamaturanaramiro 88diethyl1458tetrahydronaphthalene145trione

Ejemplares similares