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

0485887 - ÚFCH JH 2018 RIV GB eng J - Journal Article
Donkeng Dazie, Joel - Ludvík, Jiří - Fábry, Jan - Eigner, Václav
Crystal structure of 2-tert-butyl-2,3-dihydro-1H-benzo[c]pyrrol-1-one.
Acta Crystallographica Section E-Crystallographic Communications. Roč. 73, č. 8 (2017), s. 1184-1188. ISSN 2056-9890. E-ISSN 2056-9890
R&D Projects: GA ČR GA13-21704S; GA MŠMT(CZ) LO1603
EU Projects: European Commission(CZ) CZ.2.16/3.1.00/24510
Institutional support: RVO:61388955 ; RVO:68378271
Keywords : crystal structure * aromaticity * heterocyclic compounds
OECD category: Physical chemistry; Condensed matter physics (including formerly solid state physics, supercond.) (FZU-D)

The asymmetric unit of the title compound, C12H15NO, comprises two symmetry-independent molecules which differ mainly in the conformations of the tert-butyl groups. The molecules 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 intermolecular C-H ... O and C-H ...pi-electron-ring interactions in the crystal structure.
Permanent Link: http://hdl.handle.net/11104/0280813