Crystal structure from X-ray powder diffraction data, DFT-D calculation, Hirshfeld surface analysis, and energy frameworks of (RS)-trichlorme­thia­zide

Toro, R.A.; Dugarte-Dugarte, A.; Streek, J. van de; Henao, J.A.; Delgado, J.M.; Díaz de Delgado, G.

doi:10.1107/S2056989021013633

Acta Crystallographica Section E
Acta Crystallographica
Section E CRYSTALLOGRAPHIC COMMUNICATIONS

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Figure 8
Fingerprint plots for RS-trichlormethiazide: (a) all contacts; (b) H⋯O contacts; (c) H⋯Cl contacts; (d) O⋯Cl contacts; (e) H⋯H contacts; (f) Cl⋯Cl contacts; (g) H⋯C contacts, (h) N⋯Cl contacts; (i) O⋯C contacts; (j) C⋯Cl contacts; (k) H⋯N contacts; (l) C⋯C contacts. Fingerprint plots for S-Trichlormethiazide: (m)–(x). The percentage of surface area included is shown for each plot: RS-TCMZ 95.3% and S-TCMZ 99%. (y) Comparison of the contribution of intermolecular contacts (%) to the Hirshfeld surface area for RS-TCMZ and S-TCMZ.

CRYSTALLOGRAPHIC
COMMUNICATIONS

ISSN: 2056-9890

Volume 78| Part 2| February 2022| Pages 140-148

https://doi.org/10.1107/S2056989021013633

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