Information card for entry 2226539

Structure parameters

• Chemical name: 3-Chloro-<i>N</i>-(4-sulfamoylphenyl)propanamide
• Formula: C9 H11 Cl N2 O3 S
• Calculated formula: C9 H11 Cl N2 O3 S
• SMILES: ClCCC(=O)Nc1ccc(S(=O)(=O)N)cc1
• Title of publication: 3-Chloro-<i>N</i>-(4-sulfamoylphenyl)propanamide
• Authors of publication: Akkurt, Mehmet; Yalçın, Şerife Pınar; Türkmen, Hasan; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1559 - o1560
• a: 7.7554 ± 0.0004 Å
• b: 14.8191 ± 0.0008 Å
• c: 9.7482 ± 0.0005 Å
• α: 90°
• β: 94.181 ± 0.004°
• γ: 90°
• Cell volume: 1117.36 ± 0.1 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 6
• 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: 0.0439
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes