Information card for entry 2022894

Structure parameters

• Common name: bis(Deferiprone) Resorcinol (2:1)
• Formula: C20 H24 N2 O6
• Calculated formula: C20 H24 N2 O6
• Title of publication: Strategic synthon approach in obtaining cocrystals and cocrystal polymorphs of a high-Z′ system deferiprone – an anti-thalassemia drug
• Authors of publication: Rajendrakumar, Satyasree; Surampudi Venkata Sai Durga, Anuja; Balasubramanian, Sridhar
• Journal of publication: Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 6
• Pages of publication: 946 - 964
• a: 11.71471 ± 0.00015 Å
• b: 7.32566 ± 0.0001 Å
• c: 22.0867 ± 0.0003 Å
• α: 90°
• β: 100.608 ± 0.0007°
• γ: 90°
• Cell volume: 1863.04 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0855
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes