Information card for entry 2214388

Structure parameters

• Common name: hypoxanthine
• Chemical name: 1,7-dihydro-6<i>H</i>-purin-6-one
• Formula: C5 H4 N4 O
• Calculated formula: C5 H4 N4 O
• SMILES: O=c1[nH]cnc2[nH]cnc12
• Title of publication: A monoclinic polymorph of hypoxanthine
• Authors of publication: Rui-Qing Yang; Yong-Rong Xie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3309 - o3309
• a: 3.6725 ± 0.0019 Å
• b: 17.96 ± 0.009 Å
• c: 9.01 ± 0.005 Å
• α: 90°
• β: 107.469 ± 0.019°
• γ: 90°
• Cell volume: 566.9 ± 0.5 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 4
• 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: 0.0406
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1088
• 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: Yes