Information card for entry 2221603

Structure parameters

• Chemical name: <i>N</i>-[(3-Phenylsulfanyl-1-phenylsulfonyl-1<i>H</i>-indol-2- yl)methyl]acetamide
• Formula: C23 H20 N2 O3 S2
• Calculated formula: C23 H20 N2 O3 S2
• SMILES: c12ccccc1c(c(CNC(=O)C)n2S(=O)(=O)c1ccccc1)Sc1ccccc1
• Title of publication: <i>N</i>-[(3-Phenylsulfanyl-1-phenylsulfonyl-1<i>H</i>-indol-2-yl)methyl]acetamide
• Authors of publication: Thenmozhi, S.; SubbiahPandi, A.; Dhayalan, V.; MohanaKrishnan, A. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o1020 - o1021
• a: 8.8129 ± 0.0002 Å
• b: 10.888 ± 0.0003 Å
• c: 11.3711 ± 0.0003 Å
• α: 86.698 ± 0.001°
• β: 76.494 ± 0.001°
• γ: 83.317 ± 0.001°
• Cell volume: 1053.21 ± 0.05 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: 0.0603
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes