Information card for entry 2244089

Structure parameters

• Common name: Hypoxanthinium perchlorate monohydrate
• Chemical name: 6-Oxo-1,9-dihydropurin-7-ium perchlorate monohydrate
• Formula: C5 H7 Cl N4 O6
• Calculated formula: C5 H7 Cl N4 O6
• SMILES: Cl(=O)(=O)(=O)[O-].O=c1[nH]cnc2[nH+]c[nH]c12.O
• 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: 5.0307 ± 0.0006 Å
• b: 20.386 ± 0.002 Å
• c: 9.0181 ± 0.001 Å
• α: 90°
• β: 94.233 ± 0.002°
• γ: 90°
• Cell volume: 922.34 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0452
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes