Information card for entry 7210613

Structure parameters

• Formula: C17 H16 N3 O2 S
• Calculated formula: C17 H16 N3 O2 S
• Title of publication: An insight into dapsone co-crystals: sulfones as participants in supramolecular interactions
• Authors of publication: Martins, Inês; Martins, Marta; Fernandes, Auguste; André, Vânia; Duarte, M. Teresa
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 40
• Pages of publication: 8173
• a: 5.8451 ± 0.0003 Å
• b: 7.7034 ± 0.0004 Å
• c: 34.6478 ± 0.0016 Å
• α: 90°
• β: 91.116 ± 0.002°
• γ: 90°
• Cell volume: 1559.8 ± 0.13 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0689
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No