Information card for entry 2235074

Structure parameters

• Chemical name: 3-Ethenyl-1-(4-methylphenylsulfonyl)-1<i>H</i>-indole
• Formula: C17 H15 N O2 S
• Calculated formula: C17 H15 N O2 S
• SMILES: S(=O)(=O)(n1c2ccccc2c(c1)C=C)c1ccc(cc1)C
• Title of publication: 3-Ethenyl-1-(4-methylphenylsulfonyl)-1<i>H</i>-indole
• Authors of publication: Zukerman-Schpector, Julio; Wulf, Glaudeston D.; Stefani, Hélio A.; Vasconcelos, Stanley N. S.; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1829 - o1830
• a: 9.8809 ± 0.0004 Å
• b: 10.0167 ± 0.0003 Å
• c: 15.528 ± 0.0005 Å
• α: 83.687 ± 0.003°
• β: 77.864 ± 0.003°
• γ: 88.769 ± 0.003°
• Cell volume: 1493.41 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0745
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1788
• Weighted residual factors for all reflections included in the refinement: 0.1845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes