Crystal structures of three functionalized chalcones: 4′-di­methyl­amino-3-nitro­chalcone, 3-di­methyl­amino-3′-nitrochalcone and 3′-nitro­chalcone

Hall, C.L.; Hamilton, V.; Potticary, J.; Cremeens, M.E.; Pridmore, N.E.; Sparkes, H.A.; D'ambruoso, G.D.; Warren, S.D.; Matsumoto, M.; Hall, S.R.

doi:10.1107/S2056989020011858

Acta Crystallographica Section E
Acta Crystallographica
Section E CRYSTALLOGRAPHIC COMMUNICATIONS

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Figure 5
Electrostatic potential maps for optimized configurations of Gp8m, Hm7m and Hm1- molecules. Optimizations were carried out using Gaussian09 [B3LYP/6–31 G(d); Frisch et al., 2009

]. The electrostatic potential is mapped onto the 0.0004 SCF electron density surface.

CRYSTALLOGRAPHIC
COMMUNICATIONS

ISSN: 2056-9890

Volume 76| Part 10| October 2020| Pages 1599-1604

https://doi.org/10.1107/S2056989020011858

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