Information card for entry 2227983

Structure parameters

• Chemical name: 4-Methyl-<i>N</i>-[(<i>S</i>)-1-phenylethyl]benzenesulfonamide
• Formula: C15 H17 N O2 S
• Calculated formula: C15 H17 N O2 S
• SMILES: c1(ccc(cc1)C)S(=O)(=O)N[C@@H](C)c1ccccc1
• Title of publication: 4-Methyl-<i>N</i>-[(<i>S</i>)-1-phenylethyl]benzenesulfonamide
• Authors of publication: Keleşoğlu, Zeynep; Gültekin, Zeynep; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2363 - o2364
• a: 8.1588 ± 0.0004 Å
• b: 10.1498 ± 0.0004 Å
• c: 8.9242 ± 0.0005 Å
• α: 90°
• β: 105.545 ± 0.004°
• γ: 90°
• Cell volume: 711.98 ± 0.06 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0294
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes