Information card for entry 7252116

Structure parameters

• Formula: C10 H13 N3 O6 S3
• Calculated formula: C10 H13 N3 O6 S3
• 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: 8.1758 ± 0.0008 Å
• b: 9.2396 ± 0.0009 Å
• c: 10.2619 ± 0.001 Å
• α: 100.173 ± 0.001°
• β: 93.697 ± 0.001°
• γ: 105.524 ± 0.001°
• Cell volume: 730.05 ± 0.12 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No