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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-other | 2016 Nov

REPOSITORIES: biostudies-other

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

Sharmila N N Sundar T V TV Sathish G G Venkatesan P P

Acta crystallographica. Section E, Crystallographic communications 20161011 Pt 11

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 presenc ...[more]

PMID: 27840710

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Crystal structure and Hirshfeld analysis of trans-bis-(5-fluoro-indoline-2,3-dione 3-oximato-κ2O2,N3)-trans-bis-(pyridine-κN)copper(II).

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