Information card for entry 1575324

Structure parameters

• Common name: MO1-06C
• Formula: C13 H12 N2 O5 S
• Calculated formula: C13 H12 N2 O5 S
• Title of publication: Structural Comparison of Three N-(4-Methoxyphenyl)-Nitrobenzenesulfonamide Derivatives
• Authors of publication: Oblazny, Mark; Hamaker, Christhoper G.
• Journal of publication: Crystals
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 8
• Pages of publication: 673
• a: 20.5686 ± 0.0007 Å
• b: 5.1731 ± 0.0002 Å
• c: 13.0803 ± 0.0005 Å
• α: 90°
• β: 107.76 ± 0.0016°
• γ: 90°
• Cell volume: 1325.46 ± 0.09 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: 0.0281
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No