Cargando…

Crystal structure of ethyl 2-[(4-bromo­phen­yl)amino]-3,4-di­methyl­pent-3-enoate

In the title compound, C(15)H(20)BrNO(2), there are two independent mol­ecules (A and B) comprising the asymmetric unit and these adopt very similar conformations. In A, the dihedral angle between the CO(2) and MeC=CMe(2) groups is 80.7 (3)°, and these make dihedral angles of 3.5 (3) and 84.09 (16)°...

Descripción completa

Detalles Bibliográficos
Autores principales: Zukerman-Schpector, Julio, Caracelli, I., Stefani, Hélio A., Khan, Amna N., Tiekink, Edward R. T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257164/
https://www.ncbi.nlm.nih.gov/pubmed/25484707
http://dx.doi.org/10.1107/S1600536814020832
_version_ 1782347690697293824
author Zukerman-Schpector, Julio
Caracelli, I.
Stefani, Hélio A.
Khan, Amna N.
Tiekink, Edward R. T.
author_facet Zukerman-Schpector, Julio
Caracelli, I.
Stefani, Hélio A.
Khan, Amna N.
Tiekink, Edward R. T.
author_sort Zukerman-Schpector, Julio
collection PubMed
description In the title compound, C(15)H(20)BrNO(2), there are two independent mol­ecules (A and B) comprising the asymmetric unit and these adopt very similar conformations. In A, the dihedral angle between the CO(2) and MeC=CMe(2) groups is 80.7 (3)°, and these make dihedral angles of 3.5 (3) and 84.09 (16)°, respectively, with the bromo­benzene ring. The equivalent dihedral angles for mol­ecule B are 78.4 (3), 2.1 (3) and 78.37 (12)°, respectively. The most prominent inter­actions in the crystal packing are amine-N—H⋯O(carbon­yl) hydrogen bonds between the two independent mol­ecules, resulting in non-centrosymmetric ten-membered {⋯OC(2)NH}(2) synthons. Statistical disorder is noted for each of the terminal methyl groups of the ethyl residues.
format Online
Article
Text
id pubmed-4257164
institution National Center for Biotechnology Information
language English
publishDate 2014
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-42571642014-12-05 Crystal structure of ethyl 2-[(4-bromo­phen­yl)amino]-3,4-di­methyl­pent-3-enoate Zukerman-Schpector, Julio Caracelli, I. Stefani, Hélio A. Khan, Amna N. Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Data Reports In the title compound, C(15)H(20)BrNO(2), there are two independent mol­ecules (A and B) comprising the asymmetric unit and these adopt very similar conformations. In A, the dihedral angle between the CO(2) and MeC=CMe(2) groups is 80.7 (3)°, and these make dihedral angles of 3.5 (3) and 84.09 (16)°, respectively, with the bromo­benzene ring. The equivalent dihedral angles for mol­ecule B are 78.4 (3), 2.1 (3) and 78.37 (12)°, respectively. The most prominent inter­actions in the crystal packing are amine-N—H⋯O(carbon­yl) hydrogen bonds between the two independent mol­ecules, resulting in non-centrosymmetric ten-membered {⋯OC(2)NH}(2) synthons. Statistical disorder is noted for each of the terminal methyl groups of the ethyl residues. International Union of Crystallography 2014-09-24 /pmc/articles/PMC4257164/ /pubmed/25484707 http://dx.doi.org/10.1107/S1600536814020832 Text en © Zukerman-Schpector et al. 2014 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 Data Reports
Zukerman-Schpector, Julio
Caracelli, I.
Stefani, Hélio A.
Khan, Amna N.
Tiekink, Edward R. T.
Crystal structure of ethyl 2-[(4-bromo­phen­yl)amino]-3,4-di­methyl­pent-3-enoate
title Crystal structure of ethyl 2-[(4-bromo­phen­yl)amino]-3,4-di­methyl­pent-3-enoate
title_full Crystal structure of ethyl 2-[(4-bromo­phen­yl)amino]-3,4-di­methyl­pent-3-enoate
title_fullStr Crystal structure of ethyl 2-[(4-bromo­phen­yl)amino]-3,4-di­methyl­pent-3-enoate
title_full_unstemmed Crystal structure of ethyl 2-[(4-bromo­phen­yl)amino]-3,4-di­methyl­pent-3-enoate
title_short Crystal structure of ethyl 2-[(4-bromo­phen­yl)amino]-3,4-di­methyl­pent-3-enoate
title_sort crystal structure of ethyl 2-[(4-bromo­phen­yl)amino]-3,4-di­methyl­pent-3-enoate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257164/
https://www.ncbi.nlm.nih.gov/pubmed/25484707
http://dx.doi.org/10.1107/S1600536814020832
work_keys_str_mv AT zukermanschpectorjulio crystalstructureofethyl24bromophenylamino34dimethylpent3enoate
AT caracellii crystalstructureofethyl24bromophenylamino34dimethylpent3enoate
AT stefanihelioa crystalstructureofethyl24bromophenylamino34dimethylpent3enoate
AT khanamnan crystalstructureofethyl24bromophenylamino34dimethylpent3enoate
AT tiekinkedwardrt crystalstructureofethyl24bromophenylamino34dimethylpent3enoate