Information card for entry 7252115

Structure parameters

• Formula: C18 H22 N6 O9 S5
• Calculated formula: C18 H22 N6 O9 S5
• Title of publication: Encapsulation of Cation in Sulphate and Anion in Methyl Sulphate Salt of Sulphathiazole
• Authors of publication: Hazarika, Abhinav; Singh, Abhay Pratap; Baruah, Jubaraj B.
• Journal of publication: CrystEngComm
• Year of publication: 2026
• a: 11.8192 ± 0.0005 Å
• b: 23.217 ± 0.001 Å
• c: 17.7429 ± 0.0008 Å
• α: 90°
• β: 90.369 ± 0.001°
• γ: 90°
• Cell volume: 4868.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1528
• Weighted residual factors for all reflections included in the refinement: 0.1769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No