 | Acta Crystallographica Section E Acta Crystallographica Section E CRYSTALLOGRAPHIC COMMUNICATIONS |
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![[Figure 3]](jy2035fig3mag.jpg)
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Figure 3
Interaction energy calculations within the molecules was performed using the HF method (HF/3-21G) in the CrystalExplorer17 program. The thickness of the tube represents the value of the energy. The distribution of the interactions according to type shows strong interactions along the crystallographic a direction (the largest values are represented here). The total energy framework (in blue) and its two main components, dispersion (in green) and Coulombic energy (in red), are shown for a cluster around a reference molecule. also exhibit stronger interactions along the crystallographic a direction. |
![[Figure 3]](jy2035fig3.jpg)
| CRYSTALLOGRAPHIC COMMUNICATIONS |
ISSN: 2056-9890
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