Crystal structures of the hexa­fluorido­phosphate salts of the isomeric 2-, 3- and 4-cyano-1-methyl­pyridinium cations and determination of solid-state inter­action energies

Mague, J.T.; Larrabee, E.; Olivier, D.; Vaccaro, F.; Riley, K.E.; Koplitz, L.V.

doi:10.1107/S2056989018011003

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 10
Electrostatic potential maps (kcal mol⁻¹) for the 4-CMP⁺ (left), 3-CMP⁺ (center) and 2-CMP⁺ (right) cations. Note the large range of 440 kcal mol⁻¹. The strong electron-withdrawing ability of the cyano group results in a significantly less positive partial charge for that part of the molecular ion.

CRYSTALLOGRAPHIC
COMMUNICATIONS

ISSN: 2056-9890

Volume 74| Part 9| September 2018| Pages 1322-1329

https://doi.org/10.1107/S2056989018011003

Open

access

Follow Acta Cryst. E

Search IUCr Journals		doi		Advanced search
Author		volume	page