9-(5-Bromo-1H-indol-3-yl)-1,2,3,4,5,6,7,8,9,10-deca­hydro­acridine-1,8-dione dimethyl sulfoxide monosolvate

In the title compound, C(21)H(19)BrN(2)O(2)·C(2)H(6)OS, the indole ring system is essentially planar, with a maximum deviation of 0.050 (3) Å for the non-bridgehead C atom adjacent to the N atom. The two cyclo­hex-2-enone rings adopt half-chair conformations. An intra­molecular C—H⋯O hydrogen bond o...

Descripción completa

Detalles Bibliográficos
Autores principales: El-Khouly, Ahmed, Öztürk Yildirim, Sema, Butcher, Ray J., Şimsek, Rahime, Şafak, Cihat
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588939/
https://www.ncbi.nlm.nih.gov/pubmed/23476175
http://dx.doi.org/10.1107/S1600536812045886
_version_ 1782261660842459136
author El-Khouly, Ahmed
Öztürk Yildirim, Sema
Butcher, Ray J.
Şimsek, Rahime
Şafak, Cihat
author_facet El-Khouly, Ahmed
Öztürk Yildirim, Sema
Butcher, Ray J.
Şimsek, Rahime
Şafak, Cihat
author_sort El-Khouly, Ahmed
collection PubMed
description In the title compound, C(21)H(19)BrN(2)O(2)·C(2)H(6)OS, the indole ring system is essentially planar, with a maximum deviation of 0.050 (3) Å for the non-bridgehead C atom adjacent to the N atom. The two cyclo­hex-2-enone rings adopt half-chair conformations. An intra­molecular C—H⋯O hydrogen bond occurs. The solvent mol­ecule exhibits minor disorder of the S atom [site occupancies = 0.8153 (16) and 0.1847 (18)]. In the crystal, mol­ecules are linked by N—H⋯O hydrogen bonds, forming layers parallel to the bc plane.
format Online
Article
Text
id pubmed-3588939
institution National Center for Biotechnology Information
language English
publishDate 2012
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-35889392013-03-08 9-(5-Bromo-1H-indol-3-yl)-1,2,3,4,5,6,7,8,9,10-deca­hydro­acridine-1,8-dione dimethyl sulfoxide monosolvate El-Khouly, Ahmed Öztürk Yildirim, Sema Butcher, Ray J. Şimsek, Rahime Şafak, Cihat Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(21)H(19)BrN(2)O(2)·C(2)H(6)OS, the indole ring system is essentially planar, with a maximum deviation of 0.050 (3) Å for the non-bridgehead C atom adjacent to the N atom. The two cyclo­hex-2-enone rings adopt half-chair conformations. An intra­molecular C—H⋯O hydrogen bond occurs. The solvent mol­ecule exhibits minor disorder of the S atom [site occupancies = 0.8153 (16) and 0.1847 (18)]. In the crystal, mol­ecules are linked by N—H⋯O hydrogen bonds, forming layers parallel to the bc plane. International Union of Crystallography 2012-11-10 /pmc/articles/PMC3588939/ /pubmed/23476175 http://dx.doi.org/10.1107/S1600536812045886 Text en © El-Khouly et al. 2012 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
El-Khouly, Ahmed
Öztürk Yildirim, Sema
Butcher, Ray J.
Şimsek, Rahime
Şafak, Cihat
9-(5-Bromo-1H-indol-3-yl)-1,2,3,4,5,6,7,8,9,10-deca­hydro­acridine-1,8-dione dimethyl sulfoxide monosolvate
title 9-(5-Bromo-1H-indol-3-yl)-1,2,3,4,5,6,7,8,9,10-deca­hydro­acridine-1,8-dione dimethyl sulfoxide monosolvate
title_full 9-(5-Bromo-1H-indol-3-yl)-1,2,3,4,5,6,7,8,9,10-deca­hydro­acridine-1,8-dione dimethyl sulfoxide monosolvate
title_fullStr 9-(5-Bromo-1H-indol-3-yl)-1,2,3,4,5,6,7,8,9,10-deca­hydro­acridine-1,8-dione dimethyl sulfoxide monosolvate
title_full_unstemmed 9-(5-Bromo-1H-indol-3-yl)-1,2,3,4,5,6,7,8,9,10-deca­hydro­acridine-1,8-dione dimethyl sulfoxide monosolvate
title_short 9-(5-Bromo-1H-indol-3-yl)-1,2,3,4,5,6,7,8,9,10-deca­hydro­acridine-1,8-dione dimethyl sulfoxide monosolvate
title_sort 9-(5-bromo-1h-indol-3-yl)-1,2,3,4,5,6,7,8,9,10-deca­hydro­acridine-1,8-dione dimethyl sulfoxide monosolvate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588939/
https://www.ncbi.nlm.nih.gov/pubmed/23476175
http://dx.doi.org/10.1107/S1600536812045886
work_keys_str_mv AT elkhoulyahmed 95bromo1hindol3yl12345678910decahydroacridine18dionedimethylsulfoxidemonosolvate
AT ozturkyildirimsema 95bromo1hindol3yl12345678910decahydroacridine18dionedimethylsulfoxidemonosolvate
AT butcherrayj 95bromo1hindol3yl12345678910decahydroacridine18dionedimethylsulfoxidemonosolvate
AT simsekrahime 95bromo1hindol3yl12345678910decahydroacridine18dionedimethylsulfoxidemonosolvate
AT safakcihat 95bromo1hindol3yl12345678910decahydroacridine18dionedimethylsulfoxidemonosolvate

Ejemplares similares