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Crystal structure of 5-bromo-1-ethylindoline-2,3-dione
The title compound, C(10)H(8)BrNO(2), crystallizes with two independent molcules (A and B) in the asymmetric unit. In each molecule, the indoline ring system is almost planar, with the largest deviation from the mean plane being 0.016 (2) Å in molecule A and 0.040 (13) Å in molecule B. In each mo...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719959/ https://www.ncbi.nlm.nih.gov/pubmed/26870478 http://dx.doi.org/10.1107/S2056989015023002 |
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author | Kharbach, Yassine Haoudi, Amal Capet, Frédéric Mazzah, Ahmed El Ammari, Lahcen |
author_facet | Kharbach, Yassine Haoudi, Amal Capet, Frédéric Mazzah, Ahmed El Ammari, Lahcen |
author_sort | Kharbach, Yassine |
collection | PubMed |
description | The title compound, C(10)H(8)BrNO(2), crystallizes with two independent molcules (A and B) in the asymmetric unit. In each molecule, the indoline ring system is almost planar, with the largest deviation from the mean plane being 0.016 (2) Å in molecule A and 0.040 (13) Å in molecule B. In each molecule, the ethyl group is nearly perpendicular to the indoline ring system with C—C—N—C torsion angles of −94.8 (3) and 93.0 (3)° in molecules A and B, respectively. In the crystal, the two molecules are inclined to each other, making a dihedral angle of 6.28 (8)°. In the molecular packing, the A and B molecules are linked by C—H⋯O hydrogen bonds, forming –A–B–A–B– chains along [01-1]. Parallel chains are linked via a weak slipped parallel π–π interaction [inter-centroid distance = 3.6107 (14) Å] and a short Br⋯O contact [3.183 (2) Å], forming a three-dimensional structure. |
format | Online Article Text |
id | pubmed-4719959 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-47199592016-02-11 Crystal structure of 5-bromo-1-ethylindoline-2,3-dione Kharbach, Yassine Haoudi, Amal Capet, Frédéric Mazzah, Ahmed El Ammari, Lahcen Acta Crystallogr E Crystallogr Commun Data Reports The title compound, C(10)H(8)BrNO(2), crystallizes with two independent molcules (A and B) in the asymmetric unit. In each molecule, the indoline ring system is almost planar, with the largest deviation from the mean plane being 0.016 (2) Å in molecule A and 0.040 (13) Å in molecule B. In each molecule, the ethyl group is nearly perpendicular to the indoline ring system with C—C—N—C torsion angles of −94.8 (3) and 93.0 (3)° in molecules A and B, respectively. In the crystal, the two molecules are inclined to each other, making a dihedral angle of 6.28 (8)°. In the molecular packing, the A and B molecules are linked by C—H⋯O hydrogen bonds, forming –A–B–A–B– chains along [01-1]. Parallel chains are linked via a weak slipped parallel π–π interaction [inter-centroid distance = 3.6107 (14) Å] and a short Br⋯O contact [3.183 (2) Å], forming a three-dimensional structure. International Union of Crystallography 2015-12-06 /pmc/articles/PMC4719959/ /pubmed/26870478 http://dx.doi.org/10.1107/S2056989015023002 Text en © Kharbach et al. 2015 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 Kharbach, Yassine Haoudi, Amal Capet, Frédéric Mazzah, Ahmed El Ammari, Lahcen Crystal structure of 5-bromo-1-ethylindoline-2,3-dione |
title | Crystal structure of 5-bromo-1-ethylindoline-2,3-dione |
title_full | Crystal structure of 5-bromo-1-ethylindoline-2,3-dione |
title_fullStr | Crystal structure of 5-bromo-1-ethylindoline-2,3-dione |
title_full_unstemmed | Crystal structure of 5-bromo-1-ethylindoline-2,3-dione |
title_short | Crystal structure of 5-bromo-1-ethylindoline-2,3-dione |
title_sort | crystal structure of 5-bromo-1-ethylindoline-2,3-dione |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719959/ https://www.ncbi.nlm.nih.gov/pubmed/26870478 http://dx.doi.org/10.1107/S2056989015023002 |
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