Crystal and geometry-optimized structure, and Hirshfeld surface analysis of 1-(2-bromo-eth-yl)indoline-2,3-dione.

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, mol-ecules 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 inter-molecular 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 bromo-ethyl-ene group, which makes ca 18.7% Br⋯H contacts.

SUBMITTER: Sharmila N 

PROVIDER: S-EPMC5095835 | biostudies-literature | 2016 Nov

REPOSITORIES: biostudies-literature