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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Detalles Bibliográficos
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
Descripción
Sumario: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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