Information card for entry 2312950

Structure parameters

• Common name: Trithiocyanuric acid–tinidazole–methanol (1/1/1)
• Chemical name: 1,3,5-Triazine-2,4,6-trithiol; 1-[2-(ethanesulfonyl)ethyl]-2-methyl-5-nitro-1H-imidazole; methanol
• Formula: C12 H20 N6 O5 S4
• Calculated formula: C12 H20 N6 O5 S4
• 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: 28.9189 ± 0.0011 Å
• b: 5.4105 ± 0.0002 Å
• c: 29.6134 ± 0.0011 Å
• α: 90°
• β: 118.813 ± 0.005°
• γ: 90°
• Cell volume: 4059.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes