Utilizing Hirshfeld surface calculations, non-covalent inter­action (NCI) plots and the calculation of inter­action energies in the analysis of mol­ecular packing

Tan, S.L.; Jotani, M.M.; Tiekink, E.R.T.

doi:10.1107/S2056989019001129

Acta Crystallographica Section E
Acta Crystallographica
Section E CRYSTALLOGRAPHIC COMMUNICATIONS

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Figure 9
(a) Chemical diagram for (VII) and quantification of the strength of specific interactions through energy calculation that correlates with the d_norm mapping on the pro-molecule surface for the (b) 2,2′-dithiodibenzoic acid and (c) 1:2 co-crystal of 2,2′-dithiodibenzoic acid and benzoic acid.

CRYSTALLOGRAPHIC
COMMUNICATIONS

ISSN: 2056-9890

Volume 75| Part 3| March 2019| Pages 308-318

https://doi.org/10.1107/S2056989019001129

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