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Crystal structure of 2-tert-butyl-2,3-dihydro-1H-benzo[c]pyrrol-1-one
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SYSNO ASEP 0485887 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Crystal structure of 2-tert-butyl-2,3-dihydro-1H-benzo[c]pyrrol-1-one Author(s) Donkeng Dazie, Joel (UFCH-W) RID, ORCID
Ludvík, Jiří (UFCH-W) RID, ORCID
Fábry, Jan (FZU-D) RID, ORCID, SAI
Eigner, Václav (FZU-D) RID, ORCIDSource Title Acta Crystallographica Section E-Crystallographic Communications. - : Oxford Blackwell - ISSN 2056-9890
Roč. 73, č. 8 (2017), s. 1184-1188Number of pages 5 s. Language eng - English Country GB - United Kingdom Keywords crystal structure ; aromaticity ; heterocyclic compounds Subject RIV CF - Physical ; Theoretical Chemistry OECD category Physical chemistry Subject RIV - cooperation Institute of Physics - Solid Matter Physics ; Magnetism R&D Projects GA13-21704S GA ČR - Czech Science Foundation (CSF) LO1603 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) Institutional support UFCH-W - RVO:61388955 ; FZU-D - RVO:68378271 UT WOS 000406771200019 EID SCOPUS 85029526630 DOI 10.1107/S2056989017010337 Annotation 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. Workplace J. Heyrovsky Institute of Physical Chemistry Contact Michaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196 Year of Publishing 2018
Number of the records: 1