Information card for entry 2224107

Structure parameters

• Chemical name: <i>N</i>-(4-Methoxyphenyl)-<i>tert</i>-butanesulfinamide
• Formula: C11 H17 N O2 S
• Calculated formula: C11 H17 N O2 S
• SMILES: O=S(Nc1ccc(cc1)OC)C(C)(C)C
• Title of publication: <i>N</i>-(4-Methoxyphenyl)-<i>tert</i>-butanesulfinamide
• Authors of publication: Datta, Mrityunjoy; Buglass, Alan J.; Elsegood, Mark R. J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2823
• a: 19.6157 ± 0.0011 Å
• b: 9.1034 ± 0.0005 Å
• c: 13.3808 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2389.4 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1075
• 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