Synthesis, crystal structure, Hirshfeld surface analysis, and energy framework of bis­{3-(4-bromo­phen­yl)-5-[6-(1H-pyrazol-1-yl)pyridin-2-yl]-4H-1,2,4-triazol-4-ido}nickel(II) methanol disolvate and comparison with its chloro-substituted analogue

Znovjyak, K.; Shova, S.; Nikitin, S.O.; Moroz, Y.S.; Tananaiko, O.; Malinkin, S.O.; Seredyuk, M.

doi:10.1107/S2056989025007467

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 5
(a) The calculated energy frameworks, showing the total energy diagrams (E_tot), (b) decomposition of the energy framework into the part corresponding to the interactions within a supramolecular layer and (c) interlayer interactions. In the table, the corresponding color-coded energy values E_tot are provided, including their E_ele, E_pol, E_dis, and E_rep components. Tube size is set at 100 scale, the blue color corresponds to the attractive interactions, yellow to the repulsive interactions; (d) Comparative plots of the absolute E_tot values for 1 and 2. The color-coding of the bars corresponds to the symmetry operations in the table above. The asterisks distinguish the energy bars corresponding to the intralayer interactions.

CRYSTALLOGRAPHIC
COMMUNICATIONS

ISSN: 2056-9890

Volume 81| Part 10| October 2025| Pages 906-911

https://doi.org/10.1107/S2056989025007467

Open

access

Follow Acta Cryst. E

Search IUCr Journals		doi		Advanced search
Author		volume	page