Information card for entry 7243682

Structure parameters

• Chemical name: DAP-PYR (2:1)
• Formula: C33 H37 N7 O4 S2
• Calculated formula: C33 H37 N7 O4 S2
• Title of publication: Preparation and solid-state characterization of dapsone pharmaceutical cocrystals through the supramolecular synthon strategy
• Authors of publication: Zhao, Chenyang; Li, Wanya; Li, Zhonghua; Hu, Weiguo; Zhang, Suoqing; Wu, Songgu
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 38
• Pages of publication: 6690 - 6702
• a: 5.7687 ± 0.0012 Å
• b: 7.8235 ± 0.0016 Å
• c: 35.517 ± 0.007 Å
• α: 90°
• β: 91.67 ± 0.03°
• γ: 90°
• Cell volume: 1602.3 ± 0.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113.15 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: 0.0645
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No