Information card for entry 2236524

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>-Bis(2-hydroxyethyl)-4-methylbenzenesulfonamide
• Formula: C11 H17 N O4 S
• Calculated formula: C11 H17 N O4 S
• SMILES: O=S(=O)(c1ccc(C)cc1)N(CCO)CCO
• Title of publication: <i>N</i>,<i>N</i>-Bis(2-hydroxyethyl)-4-methylbenzenesulfonamide
• Authors of publication: Mushtaq, Nafeesa; Khan, Islam Ullah; Yar, Muhammad; Afzal, Sadia; Simpson, Jim
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: o3142
• a: 17.9308 ± 0.0005 Å
• b: 7.1881 ± 0.0002 Å
• c: 19.8333 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2556.28 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1443
• Weighted residual factors for all reflections included in the refinement: 0.1611
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes