Crystal and geometry-optimized structure, and Hirshfeld surface analysis of 1-(2-bromo­eth­yl)indoline-2,3-dione

In the title compound, C(10)H(8)BrNO(2), the isatin (1H-indole-2,3-dione) moiety is nearly planar (r.m.s. deviation = 0.026 Å). In the crystal, mol­ecules are linked by C—H⋯O hydrogen bonds, forming layers parallel to the ab plane, and enclosing R (4) (4)(24) loops. There are a low percentage (19.3%...

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Autores principales: Sharmila, N., Sundar, T. V., Sathish, G., Venkatesan, P.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5095835/
https://www.ncbi.nlm.nih.gov/pubmed/27840710
http://dx.doi.org/10.1107/S2056989016015760
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author Sharmila, N.
Sundar, T. V.
Sathish, G.
Venkatesan, P.
author_facet Sharmila, N.
Sundar, T. V.
Sathish, G.
Venkatesan, P.
author_sort Sharmila, N.
collection PubMed
description In the title compound, C(10)H(8)BrNO(2), the isatin (1H-indole-2,3-dione) moiety is nearly planar (r.m.s. deviation = 0.026 Å). In the crystal, mol­ecules are linked by C—H⋯O hydrogen bonds, forming layers parallel to the ab plane, and enclosing R (4) (4)(24) loops. There are a low percentage (19.3%) of inter­molecular H⋯H contacts in the structure, as estimated by the analysis of Hirshfeld surfaces. This could be due to the presence of the Br atom, present in the bromo­ethyl­ene group, which makes ca 18.7% Br⋯H contacts.
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spelling pubmed-50958352016-11-11 Crystal and geometry-optimized structure, and Hirshfeld surface analysis of 1-(2-bromo­eth­yl)indoline-2,3-dione Sharmila, N. Sundar, T. V. Sathish, G. Venkatesan, P. Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, C(10)H(8)BrNO(2), the isatin (1H-indole-2,3-dione) moiety is nearly planar (r.m.s. deviation = 0.026 Å). In the crystal, mol­ecules are linked by C—H⋯O hydrogen bonds, forming layers parallel to the ab plane, and enclosing R (4) (4)(24) loops. There are a low percentage (19.3%) of inter­molecular H⋯H contacts in the structure, as estimated by the analysis of Hirshfeld surfaces. This could be due to the presence of the Br atom, present in the bromo­ethyl­ene group, which makes ca 18.7% Br⋯H contacts. International Union of Crystallography 2016-10-11 /pmc/articles/PMC5095835/ /pubmed/27840710 http://dx.doi.org/10.1107/S2056989016015760 Text en © Sharmila et al. 2016 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 Research Communications
Sharmila, N.
Sundar, T. V.
Sathish, G.
Venkatesan, P.
Crystal and geometry-optimized structure, and Hirshfeld surface analysis of 1-(2-bromo­eth­yl)indoline-2,3-dione
title Crystal and geometry-optimized structure, and Hirshfeld surface analysis of 1-(2-bromo­eth­yl)indoline-2,3-dione
title_full Crystal and geometry-optimized structure, and Hirshfeld surface analysis of 1-(2-bromo­eth­yl)indoline-2,3-dione
title_fullStr Crystal and geometry-optimized structure, and Hirshfeld surface analysis of 1-(2-bromo­eth­yl)indoline-2,3-dione
title_full_unstemmed Crystal and geometry-optimized structure, and Hirshfeld surface analysis of 1-(2-bromo­eth­yl)indoline-2,3-dione
title_short Crystal and geometry-optimized structure, and Hirshfeld surface analysis of 1-(2-bromo­eth­yl)indoline-2,3-dione
title_sort crystal and geometry-optimized structure, and hirshfeld surface analysis of 1-(2-bromo­eth­yl)indoline-2,3-dione
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5095835/
https://www.ncbi.nlm.nih.gov/pubmed/27840710
http://dx.doi.org/10.1107/S2056989016015760
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