Information card for entry 2207017

Structure parameters

• Chemical name: N^9^,N^7^-Dimethylhypoxanthinium iodide
• Formula: C7 H9 I N4 O
• Calculated formula: C7 H9 I N4 O
• SMILES: [I-].O=c1[nH]cnc2c1n(C)c[n+]2C
• Title of publication: <i>N</i>^9^,<i>N</i>^7^-Dimethylhypoxanthinium iodide
• Authors of publication: Nasiri, Hamid Reza; Schwalbe, Harald; Bolte, Michael; Wöhnert, Jens
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3353 - o3354
• a: 7.5961 ± 0.0013 Å
• b: 11.6988 ± 0.0012 Å
• c: 11.8222 ± 0.0015 Å
• α: 90°
• β: 90.063 ± 0.012°
• γ: 90°
• Cell volume: 1050.6 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0567
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes