Cargando…

Ethyl 4-(5-bromo-1H-indol-3-yl)-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa­hydro­quinoline-3-carboxyl­ate

The title compound, C(23)H(25)BrN(2)O(3), crystallizes with two independent mol­ecules in the asymmetric unit (Z′ = 2) which differ in the twist of the 5-bromo-1H-indole ring with respect to the plane of the 4-methyl-1,4,5,6,7,8-hexa­hydro­quinoline ring [dihedral angles of 78.55 (9) and 89.70 (8)°...

Descripción completa

Detalles Bibliográficos
Autores principales: Gündüz, Miyase Gözde, Butcher, Ray J., Öztürk Yildirim, Sema, El-Khouly, Ahmed, Şafak, Cihat, Şimşek, Rahime
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588994/
https://www.ncbi.nlm.nih.gov/pubmed/23476230
http://dx.doi.org/10.1107/S1600536812046909
_version_ 1782261673388670976
author Gündüz, Miyase Gözde
Butcher, Ray J.
Öztürk Yildirim, Sema
El-Khouly, Ahmed
Şafak, Cihat
Şimşek, Rahime
author_facet Gündüz, Miyase Gözde
Butcher, Ray J.
Öztürk Yildirim, Sema
El-Khouly, Ahmed
Şafak, Cihat
Şimşek, Rahime
author_sort Gündüz, Miyase Gözde
collection PubMed
description The title compound, C(23)H(25)BrN(2)O(3), crystallizes with two independent mol­ecules in the asymmetric unit (Z′ = 2) which differ in the twist of the 5-bromo-1H-indole ring with respect to the plane of the 4-methyl-1,4,5,6,7,8-hexa­hydro­quinoline ring [dihedral angles of 78.55 (9) and 89.70 (8)° in molecules A and B, respectively]. The indole ring is planar in both molecules [maximum deviations = 0.021 (3) and −0.020 (3) Å for the N atom] while the cyclo­hexene ring has adopts a sofa conformation. In the crystal, mol­ecules are linked by pairs of N—H⋯O hydrogen bonds, forming dimers with R (1) (2)(6) ring motifs. These dimers are connected by N—H⋯O hydrogen bonds, generating chains along [110]. A C—H⋯O contact occurs between the independent mol­ecules.
format Online
Article
Text
id pubmed-3588994
institution National Center for Biotechnology Information
language English
publishDate 2012
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-35889942013-03-08 Ethyl 4-(5-bromo-1H-indol-3-yl)-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa­hydro­quinoline-3-carboxyl­ate Gündüz, Miyase Gözde Butcher, Ray J. Öztürk Yildirim, Sema El-Khouly, Ahmed Şafak, Cihat Şimşek, Rahime Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(23)H(25)BrN(2)O(3), crystallizes with two independent mol­ecules in the asymmetric unit (Z′ = 2) which differ in the twist of the 5-bromo-1H-indole ring with respect to the plane of the 4-methyl-1,4,5,6,7,8-hexa­hydro­quinoline ring [dihedral angles of 78.55 (9) and 89.70 (8)° in molecules A and B, respectively]. The indole ring is planar in both molecules [maximum deviations = 0.021 (3) and −0.020 (3) Å for the N atom] while the cyclo­hexene ring has adopts a sofa conformation. In the crystal, mol­ecules are linked by pairs of N—H⋯O hydrogen bonds, forming dimers with R (1) (2)(6) ring motifs. These dimers are connected by N—H⋯O hydrogen bonds, generating chains along [110]. A C—H⋯O contact occurs between the independent mol­ecules. International Union of Crystallography 2012-11-24 /pmc/articles/PMC3588994/ /pubmed/23476230 http://dx.doi.org/10.1107/S1600536812046909 Text en © Gündüz 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
Gündüz, Miyase Gözde
Butcher, Ray J.
Öztürk Yildirim, Sema
El-Khouly, Ahmed
Şafak, Cihat
Şimşek, Rahime
Ethyl 4-(5-bromo-1H-indol-3-yl)-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa­hydro­quinoline-3-carboxyl­ate
title Ethyl 4-(5-bromo-1H-indol-3-yl)-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa­hydro­quinoline-3-carboxyl­ate
title_full Ethyl 4-(5-bromo-1H-indol-3-yl)-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa­hydro­quinoline-3-carboxyl­ate
title_fullStr Ethyl 4-(5-bromo-1H-indol-3-yl)-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa­hydro­quinoline-3-carboxyl­ate
title_full_unstemmed Ethyl 4-(5-bromo-1H-indol-3-yl)-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa­hydro­quinoline-3-carboxyl­ate
title_short Ethyl 4-(5-bromo-1H-indol-3-yl)-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa­hydro­quinoline-3-carboxyl­ate
title_sort ethyl 4-(5-bromo-1h-indol-3-yl)-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa­hydro­quinoline-3-carboxyl­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588994/
https://www.ncbi.nlm.nih.gov/pubmed/23476230
http://dx.doi.org/10.1107/S1600536812046909
work_keys_str_mv AT gunduzmiyasegozde ethyl45bromo1hindol3yl266trimethyl5oxo145678hexahydroquinoline3carboxylate
AT butcherrayj ethyl45bromo1hindol3yl266trimethyl5oxo145678hexahydroquinoline3carboxylate
AT ozturkyildirimsema ethyl45bromo1hindol3yl266trimethyl5oxo145678hexahydroquinoline3carboxylate
AT elkhoulyahmed ethyl45bromo1hindol3yl266trimethyl5oxo145678hexahydroquinoline3carboxylate
AT safakcihat ethyl45bromo1hindol3yl266trimethyl5oxo145678hexahydroquinoline3carboxylate
AT simsekrahime ethyl45bromo1hindol3yl266trimethyl5oxo145678hexahydroquinoline3carboxylate