Information card for entry 2203496

Structure parameters

• Chemical name: N-(4-methylpiperazinyl)-4-acetamidophenylsulfonamide hydrate
• Formula: C13 H22 N4 O4 S
• Calculated formula: C13 H22 N4 O4 S
• SMILES: S(=O)(=O)(NN1CCN(C)CC1)c1ccc(NC(=O)C)cc1.O
• Title of publication: 4-Acetamido-<i>N</i>-(4-methylpiperazinyl)benzenesulfonamide monohydrate
• Authors of publication: Guo, Ming-Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: o574 - o575
• a: 28.637 ± 0.014 Å
• b: 7.14 ± 0.003 Å
• c: 19.799 ± 0.011 Å
• α: 90°
• β: 124.688 ± 0.014°
• γ: 90°
• Cell volume: 3329 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes