Information card for entry 2221413

Structure parameters

• Chemical name: 2,4-Dichloro-<i>N</i>-phenethylbenzenesulfonamide
• Formula: C14 H13 Cl2 N O2 S
• Calculated formula: C14 H13 Cl2 N O2 S
• SMILES: S(=O)(=O)(c1c(Cl)cc(Cl)cc1)NCCc1ccccc1
• Title of publication: 2,4-Dichloro-<i>N</i>-phenethylbenzenesulfonamide
• Authors of publication: Babu, C. Suneel Manohar; Kavitha, Helen P.; Kavipriya, R.; Vennila, Jasmine P.; Manivannan, V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o921
• a: 5.5618 ± 0.0005 Å
• b: 10.9915 ± 0.0008 Å
• c: 25.045 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1531.1 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes