Information card for entry 2207751

Structure parameters

• Chemical name: 1-Benzenesulfonyl-2,3-dimethyl-1H-indole
• Formula: C16 H15 N O2 S
• Calculated formula: C16 H15 N O2 S
• SMILES: S(=O)(=O)(n1c(c(c2c1cccc2)C)C)c1ccccc1
• Title of publication: 1-Benzenesulfonyl-2,3-dimethyl-1<i>H</i>-indole
• Authors of publication: K. Palani; M. N. Ponnuswamy; P. Jaisankar; P. C. Srinivasan; M. Nethaj
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: o85 - o87
• a: 7.88 ± 0.0013 Å
• b: 9.602 ± 0.0016 Å
• c: 9.9864 ± 0.0017 Å
• α: 82.21 ± 0.003°
• β: 81.487 ± 0.003°
• γ: 71.087 ± 0.003°
• Cell volume: 703.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes