Crystal structure, Hirshfeld surface analysis and inter­action energy and DFT studies of 3-{(2Z)-2-[(2,4-di­chloro­phen­yl)methyl­idene]-3-oxo-3,4-di­hydro-2H-1,4-benzo­thia­zin-4-yl}propane­nitrile

Sebbar, N.K.; Hni, B.; Hökelek, T.; Jaouhar, A.; Labd Taha, M.; Mague, J.T.; Essassi, E.M.

doi:10.1107/S2056989019005966

Acta Crystallographica Section E
Acta Crystallographica
Section E CRYSTALLOGRAPHIC COMMUNICATIONS

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Figure 7
The full two-dimensional fingerprint plots for the title compound, showing (a) all interactions, and delineated into (b) H⋯H, (c) H⋯Cl/Cl⋯H, (d) H⋯C/C⋯H, (e) H⋯N/N⋯H, (f) C⋯C, (g) H⋯O/O⋯H, (h) C⋯Cl/Cl⋯C, (i) H⋯S/S⋯H, (j) C⋯S/S⋯C, (k) O⋯Cl/Cl⋯O and (l) C⋯N/N⋯C interactions. The d_i and d_e values are the closest internal and external distances (in Å) from given points on the Hirshfeld surface contacts.

CRYSTALLOGRAPHIC
COMMUNICATIONS

ISSN: 2056-9890

Volume 75| Part 6| June 2019| Pages 721-727

https://doi.org/10.1107/S2056989019005966

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