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Figure 6
Total interaction energy (black) and its components, electrostatic, polarization, dispersion and repulsive contributions, between the different dimers interacting through aromatic stacking in the following crystal forms: GA-I (Z′ = 2), GAW-I, GAW-II, GAW-V and our cocrystal hydrate structure GA4PyW4. The energies (kJ mol−1) are scaled with respective default benchmarked scale factors for B3LYP/6-31g(d,p) level of theory (Turner et al., 2014BB81).

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 78| Part 2| April 2022| Pages 231-246
https://doi.org/10.1107/S2052520622001457
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