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Figure 3
Inter­action energies in crystal structure of I. (a) A view of inter­actions between a central mol­ecule of CECO2 in crystalline I, shown as its Hirshfeld surface, and 14 mol­ecules that share the inter­action surfaces with the central mol­ecule. (b) Calculated energies (electrostatic, polarization, dispersion, repulsion, and total) of pairwise inter­actions in I between the central mol­ecule and those indicated by respective colors. (c) Energy framework for pairwise electrostatic inter­action energies in I. The cylinders link mol­ecular centroids, and the cylinder thickness is proportional to the magnitude of the energies, such as those shown in (b). For clarity, the cylinders corresponding to energies <5 kJ mol−1 are not shown. (d) The pairwise dispersion energy framework in I.

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ISSN: 2414-3146
Volume 9| Part 5| May 2024| x240480
https://doi.org/10.1107/S2414314624004802