Information card for entry 2237042

Structure parameters

• Chemical name: 4-(5-Chloropentanamido)benzenesulfonamide
• Formula: C11 H15 Cl N2 O3 S
• Calculated formula: C11 H15 Cl N2 O3 S
• SMILES: ClCCCCC(=O)Nc1ccc(S(=O)(=O)N)cc1
• Title of publication: 4-(5-Chloropentanamido)benzenesulfonamide
• Authors of publication: Türkmen, Hasan; Yalçın, Şerife Pınar; Akkurt, Mehmet; Durgun, Mustafa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o3475 - o3476
• a: 8.4872 ± 0.0001 Å
• b: 8.773 ± 0.0002 Å
• c: 10.4572 ± 0.0003 Å
• α: 73.711 ± 0.004°
• β: 85.281 ± 0.004°
• γ: 63.393 ± 0.003°
• Cell volume: 667.37 ± 0.03 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0916
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1543
• Weighted residual factors for all reflections included in the refinement: 0.1687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes