Information card for entry 2244088

Structure parameters

• Common name: Hypoxanthinium 5-sulfosalicylate dihydrate
• Chemical name: 6-Oxo-1,9-dihydropurin-7-ium 5-sulfosalicylate dihydrate
• Formula: C12 H14 N4 O9 S
• Calculated formula: C12 H12 N4 O9 S
• Title of publication: Crystal structures and Hirshfeld surface analyses of hypoxanthine salts involving 5-sulfosalicylate and perchlorate anions
• Authors of publication: Sathya, Udhayasuriyan; Nirmalram, Jeyaraman Selvaraj; Gomathi, Sundaramoorthy; Perdih, Franc; Jegan Jennifer, Samson; Abdul Razak, Ibrahim
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 6
• a: 8.7055 ± 0.0003 Å
• b: 25.9927 ± 0.0013 Å
• c: 13.6479 ± 0.0005 Å
• α: 90°
• β: 91.864 ± 0.003°
• γ: 90°
• Cell volume: 3086.6 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1
• Residual factor for significantly intense reflections: 0.0869
• Weighted residual factors for significantly intense reflections: 0.1843
• Weighted residual factors for all reflections included in the refinement: 0.1896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.223
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes