Information card for entry 8107118

Structure parameters

• Formula: C20 H23 N3 O5 S
• Calculated formula: C20 H23 N3 O5 S
• Title of publication: Crystal structure of 4-((4,4-dimethyl-2, 6-dioxocyclohexylidine)methylamino)-N-(3,4-dimethylisoxazol-5-yl)benzenesulfonamide, C20H23N3O5S
• Authors of publication: Ghorab, Mostafa M.; Alsaid, Mansour S.; Ghabbour, Hazem A.; Al-Mishari, Abdullah A.; AlRuqi, Obaid S.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 4
• Pages of publication: 1117 - 1119
• a: 6.7503 ± 0.0002 Å
• b: 14.0026 ± 0.0007 Å
• c: 21.954 ± 0.001 Å
• α: 90°
• β: 96.892 ± 0.003°
• γ: 90°
• Cell volume: 2060.14 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1063
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No