Title of article :
Crystal and geometry-optimized structure, and Hirshfeld surface analysis of 1-(2-bromoethyl)indoline-2,3-dione
Author/Authors :
Sharmila, N. Postgraduate and Research Department of Physicsm - National College (Autonomous), India , Sundar, T. V. Postgraduate and Research Department of Physicsm - National College (Autonomous), India , Sathish, G. School of Chemistry - Bharathidasan University, India , Venkatesan, P. Laboratorio de Políimeros - Centro de Química Instituto de Ciencias - Benemérita Universidad Autónoma de Puebla (BUAP) - Complejo de Ciencias,ICUAP, Mexico
Abstract :
In the title compound, C10H8BrNO2, 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 R44(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.
Keywords :
crystal structure , isatin , C—H⋯O hydrogen bonds
Journal title :
Acta Crystallographica Section E: Crystallographic Communications
