Crystal structure, Hirshfeld surface analysis and DFT study of N-(2-nitro­phen­yl)male­imide

Montoya-Garcia, M.; Cortes-Hernandez, H.; D'Vries, R.; Valencia-Sanchez, H.

doi:10.1107/S2056989024000926

Acta Crystallographica Section E
Acta Crystallographica
Section E CRYSTALLOGRAPHIC COMMUNICATIONS

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Figure 5
The optimized geometry of 1-(2-nitrophenyl)pyrrole-2,5-dione by (a) B3LYP/6–311+G (d,p); (b) wB97XD/Def2TZVPP and (c) LC-wpbe/6–311 g(2d,2p).

CRYSTALLOGRAPHIC
COMMUNICATIONS

ISSN: 2056-9890

Volume 80| Part 3| March 2024| Pages 256-261

https://doi.org/10.1107/S2056989024000926

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