4-Nitro­benzyl 3,4-bis­(acet­yloxy)-2-(4-meth­oxy­phen­yl)pyrrolidine-1-carboxyl­ate: crystal structure, Hirshfeld surface analysis and computational chemistry

Dallasta Pedroso, S.; Caracelli, I.; Zukerman-Schpector, J.; Soto-Monsalve, M.; De Almeida Santos, R.H.; Correia, C.R.D.; Llanes Garcia, A.L.; Kwong, H.C.; Tiekink, E.R.T.

doi:10.1107/S2056989020007914

Acta Crystallographica Section E
Acta Crystallographica
Section E CRYSTALLOGRAPHIC COMMUNICATIONS

IUCr IT WDC

home archive editors for authors for readers submit open access

view article

Figure 8
Perspective views of the energy frameworks calculated for (I)

and viewed down the b axis showing (a) electrostatic potential force, (b) dispersion force and (c) total energy. The radii of the cylinders are proportional to the relative magnitudes of the corresponding energies and were adjusted to the same scale factor of 50 with a cut-off value of 5 kJ mol⁻¹ within 1 × 1 × 1 unit cells.

CRYSTALLOGRAPHIC
COMMUNICATIONS

ISSN: 2056-9890

Volume 76| Part 7| July 2020| Pages 1080-1086

https://doi.org/10.1107/S2056989020007914

Open

access

Follow Acta Cryst. E

Search IUCr Journals		doi		Advanced search
Author		volume	page