Synthesis, crystal structure, Hirshfeld surface analysis and DFT calculations of the coordination compound tetra­aqua­bis­{2-[(5-methyl-1,3,4-thia­diazol-2-yl)sulfan­yl]acetato-κO}cobalt(II)

Kinshakova, E.; Torambetov, B.; Kaur, S.; Ashurov, J.; Kadirova, S.

doi:10.1107/S2056989024011939

Acta Crystallographica Section E
Acta Crystallographica
Section E CRYSTALLOGRAPHIC COMMUNICATIONS

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Figure 3
Calculated interaction energies in the title compound. The thickness of the tubes correspond to the value of the energy, revealing strong interactions along the crystallographic a-axis direction (the largest values are represented here). The total energy framework (in red) and its two main components, dispersion (in green) and Coulombic energy (in blue), shown for a cluster around a reference molecule, also exhibit stronger interactions along the crystallographic a-axis direction.

CRYSTALLOGRAPHIC
COMMUNICATIONS

ISSN: 2056-9890

Volume 81| Part 1| January 2025| Pages 63-68

https://doi.org/10.1107/S2056989024011939

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