Crystal structure, Hirshfeld surface and crystal void analysis, inter­molecular inter­action energies, DFT calculations and energy frameworks of 2H-benzo[b][1,4]thia­zin-3(4H)-one 1,1-dioxide

Irrou, E.; Ait Elmachkouri, Y.; Mazzah, A.; Hökelek, T.; Haoudi, A.; Mague, J.T.; Taha, M.L.; Sebbar, N.K.

doi:10.1107/S205698902300868X

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, (b) H⋯O/O⋯H, (c) H⋯H, (d) H⋯C/C⋯H, (e) O⋯C/C⋯O, (f) C⋯C, (g) H⋯N/N⋯H, (h) O⋯O and (i) 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 79| Part 11| November 2023| Pages 1037-1043

https://doi.org/10.1107/S205698902300868X

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