Information card for entry 2231431

Structure parameters

• Chemical name: 4-(3-Methyl-4,5-dihydro-1<i>H</i>-benzo[<i>g</i>]indazol-1-yl)benzenesulfonamide
• Formula: C18 H17 N3 O2 S
• Calculated formula: C18 H17 N3 O2 S
• SMILES: S(=O)(=O)(N)c1ccc(n2nc(c3c2c2ccccc2CC3)C)cc1
• Title of publication: 4-(3-Methyl-4,5-dihydro-1<i>H</i>-benzo[<i>g</i>]indazol-1-yl)benzenesulfonamide
• Authors of publication: Asiri, Abdullah M.; Faidallah, Hassan M.; Al-Youbi, Abdulrahman O.; Makki, Mohamad S. I. T.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2441
• a: 4.8838 ± 0.0001 Å
• b: 27.3894 ± 0.0004 Å
• c: 12.2399 ± 0.0002 Å
• α: 90°
• β: 94.738 ± 0.001°
• γ: 90°
• Cell volume: 1631.67 ± 0.05 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: 0.0693
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1833
• Weighted residual factors for all reflections included in the refinement: 0.1839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes