Information card for entry 2234462

Structure parameters

• Chemical name: 4a-Methyl-2,3,4,4a-tetrahydro-1<i>H</i>-carbazole-6-sulfonamide
• Formula: C13 H16 N2 O2 S
• Calculated formula: C13 H16 N2 O2 S
• SMILES: S(=O)(=O)(N)c1cc2C3(C(=Nc2cc1)CCCC3)C
• Title of publication: 4a-Methyl-2,3,4,4a-tetrahydro-1<i>H</i>-carbazole-6-sulfonamide
• Authors of publication: Al-Youbi, Abdulrahman O.; Asiri, Abdullah M.; Faidallah, Hassan M.; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1050
• a: 9.3694 ± 0.0005 Å
• b: 10.4051 ± 0.0005 Å
• c: 13.5937 ± 0.0008 Å
• α: 90°
• β: 103.516 ± 0.006°
• γ: 90°
• Cell volume: 1288.54 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0613
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes