Information card for entry 2312949

Structure parameters

• Common name: Trithiocyanuric acid–dimetridazole (1/1)
• Chemical name: 1,3,5-Triazine-2,4,6-trithiol; 1,2-dimethyl-5-nitro-1H-imidazole
• Formula: C8 H10 N6 O2 S3
• Calculated formula: C8 H10 N6 O2 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: 22.5326 ± 0.0003 Å
• b: 4.393 ± 0.0001 Å
• c: 27.299 ± 0.0004 Å
• α: 90°
• β: 104.422 ± 0.001°
• γ: 90°
• Cell volume: 2617.06 ± 0.08 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.025
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes