Information card for entry 2224715

Structure parameters

• Chemical name: <i>N</i>-(3-Methoxyphenyl)-<i>tert</i>-butanesulfinamide
• Formula: C11 H17 N O2 S
• Calculated formula: C11 H17 N O2 S
• Title of publication: <i>N</i>-(3-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: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o109
• a: 12.4068 ± 0.0013 Å
• b: 7.3076 ± 0.0008 Å
• c: 12.923 ± 0.0013 Å
• α: 90°
• β: 93.2992 ± 0.0015°
• γ: 90°
• Cell volume: 1169.7 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes