Crystal structure, Hirshfeld surface analysis and computational study of the 1:2 co-crystal formed between N,N′-bis­(pyridin-4-ylmeth­yl)ethane­diamide and 4-chloro­benzoic acid

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

doi:10.1107/S2056989020000572

Acta Crystallographica Section E
Acta Crystallographica
Section E CRYSTALLOGRAPHIC COMMUNICATIONS

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Figure 6
The electrostatic potential surface mapping for ⁴LH₂ and CBA as obtained from Gaussian 16, showing the average ESP charge on the surface of the point of contact for the Cl1/Cl2, C7/C14 and O1/O2 interactions. The electrostatic potential was mapped onto the isodensity surface (0.0004 a.u.) within the scale of −0.0312 to 0.0312 a.u.

CRYSTALLOGRAPHIC
COMMUNICATIONS

ISSN: 2056-9890

Volume 76| Part 2| February 2020| Pages 245-253

https://doi.org/10.1107/S2056989020000572

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