Information card for entry 4511959

Structure parameters

• Common name: Acedapsone
• Formula: C16 H16 N2 O4 S
• Calculated formula: C16 H16 N2 O4 S
• SMILES: S(=O)(=O)(c1ccc(NC(=O)C)cc1)c1ccc(NC(=O)C)cc1
• Title of publication: Pentamorphs of Acedapsone
• Authors of publication: Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 10
• Pages of publication: 5260
• a: 24.519 ± 0.003 Å
• b: 8.0444 ± 0.0007 Å
• c: 16.2501 ± 0.0015 Å
• α: 90°
• β: 105.767 ± 0.002°
• γ: 90°
• Cell volume: 3084.6 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No