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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)°...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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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 |
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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 |
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