Synthesis, crystal structure and Hirshfeld surface analysis of bromido­tetra­kis­[5-(prop-2-en-1-yl­sulf­an­yl)-1,3,4-thia­diazol-2-amine-κN3]copper(II) bromide

Atashov, A.; Azamova, M.; Ziyatov, D.; Uzakbergenova, Z.; Torambetov, B.; Holczbauer, T.; Ashurov, J.; Kadirova, S.

doi:10.1107/S2056989024002652

Acta Crystallographica Section E
Acta Crystallographica
Section E CRYSTALLOGRAPHIC COMMUNICATIONS

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Figure 3
Interaction energy calculations within the structure were performed using the HF method (HF/3–21 G) (CrystalExplorer17; Spackman et al., 2021

. 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-axis 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-axis direction.

CRYSTALLOGRAPHIC
COMMUNICATIONS

ISSN: 2056-9890

Volume 80| Part 4| April 2024| Pages 408-412

https://doi.org/10.1107/S2056989024002652

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