Information card for entry 7229951

Structure parameters

• Formula: C11 H14 N2 O3 S
• Calculated formula: C11 H14 N2 O3 S
• Title of publication: Cocrystals of zileuton with enhanced physical stability
• Authors of publication: Chen, Xin; Li, Duanxiu; Luo, Chun; Wang, Jinqiu; Deng, Zongwu; Zhang, Hailu
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 7
• Pages of publication: 990
• a: 20.997 ± 0.003 Å
• b: 6.1061 ± 0.0009 Å
• c: 9.6195 ± 0.0014 Å
• α: 90°
• β: 95.637 ± 0.005°
• γ: 90°
• Cell volume: 1227.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.1118
• Residual factor for significantly intense reflections: 0.099
• Weighted residual factors for significantly intense reflections: 0.2565
• Weighted residual factors for all reflections included in the refinement: 0.2685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No