Information card for entry 2312953

Structure parameters

• Common name: Trithiocyanuric acid–ronidazole (1/1)
• Chemical name: 1,3,5-Triazine-2,4,6-trithiol; (1-methyl-5-nitro-1H-imidazol-2-yl)methyl carbamate
• Formula: C9 H11 N7 O4 S3
• Calculated formula: C9 H11 N7 O4 S3
• Title of publication: Multicomponent crystals of nitroimidazole drugs with trithiocyanuric acid: two competing drug-coformer supramolecular motifs.
• Authors of publication: Hushcha, Valeryia; Rybarczyk-Pirek, Agnieszka J; Chęcińska, Lilianna
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2026
• Journal volume: 82
• Journal issue: 9
• Pages of publication: 562 - 575
• a: 9.0514 ± 0.0001 Å
• b: 13.2185 ± 0.0003 Å
• c: 12.8307 ± 0.0003 Å
• α: 90°
• β: 104.556 ± 0.002°
• γ: 90°
• Cell volume: 1485.87 ± 0.05 ų
• Cell temperature: 102 ± 2 K
• Ambient diffraction temperature: 102 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0263
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes