Information card for entry 2021968

Structure parameters

• Common name: Deferiprone
• Chemical name: 3-Hydroxy-1,2-dimethylpyridin-4-one
• Formula: C7 H9 N O2
• Calculated formula: C7 H9 N O2
• SMILES: C1(=C(C(=O)C=CN1C)O)C
• Title of publication: Two novel polymorphic forms of iron-chelating agent deferiprone
• Authors of publication: Rajendrakumar, Satyasree; Durga, Anuja Surampudi Venkata Sai; Nanubolu, Jagadeesh Babu; Balasubramanian, Sridhar
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 2
• Pages of publication: 193 - 200
• a: 7.185 ± 0.003 Å
• b: 12.917 ± 0.006 Å
• c: 13.697 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1271.2 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes