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 10
The energy framework for the electrostatic energy, viewed down the b axis for a cluster of molecules, where the a axis is vertical and the c axis is horizontal. The cylindrical radius is proportional to the relative strength of the corresponding energy and adjusted to the scale factor of 80 with a cut-off value of 5 kJ mol⁻¹ within 2 × 2 × 2 unit cells.

CRYSTALLOGRAPHIC
COMMUNICATIONS

ISSN: 2056-9890

Volume 79| Part 11| November 2023| Pages 1037-1043

https://doi.org/10.1107/S205698902300868X

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