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Crystal structure of 2-tert-butyl-2,3-di-hydro-1H-benzo[c]pyrrol-1-one.

ABSTRACT: The asymmetric unit of the title compound, C12H15NO, comprises two sym-metry-independent mol-ecules which differ mainly in the conformations of the tert-butyl groups. The mol-ecules contain an essentially planar five-membered 3-pyrroline ring incorporating a carbonyl substituent (pyrrolinone) which forms part of an isoindolinone skeleton. The planarity of the pyrrole ring is compared to other structures with isoindolinone. There are only weak intra- and inter-molecular C-H?O and C-H??-electron-ring inter-actions in the crystal structure.

SUBMITTER: Donkeng Dazie J

PROVIDER: S-EPMC5598845 | biostudies-literature | 2017 Jul

REPOSITORIES: biostudies-literature

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Crystal structure of 2-tert-butyl-2,3-di-hydro-1H-benzo[c]pyrrol-1-one.

Donkeng Dazie Joel J Ludvík Jiří J Fábry Jan J Eigner Václav V

Acta crystallographica. Section E, Crystallographic communications 20170717 Pt 8

The asymmetric unit of the title compound, C12H15NO, comprises two sym-metry-independent mol-ecules which differ mainly in the conformations of the tert-butyl groups. The mol-ecules contain an essentially planar five-membered 3-pyrroline ring incorporating a carbonyl substituent (pyrrolinone) which forms part of an isoindolinone skeleton. The planarity of the pyrrole ring is compared to other structures with isoindolinone. There are only weak intra- and inter-molecul ...[more]

PMID: 28932433

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