Information card for entry 2223756

Structure parameters

• Chemical name: <i>N</i>-[(3-Phenylsulfanyl-1-phenylsulfonyl-1<i>H</i>-indol-2- yl)methyl]propionamide
• Formula: C24 H22 N2 O3 S2
• Calculated formula: C24 H22 N2 O3 S2
• SMILES: c1(ccccc1)S(=O)(=O)n1c(c(c2ccccc12)Sc1ccccc1)CNC(=O)CC
• Title of publication: <i>N</i>-[(3-Phenylsulfanyl-1-phenylsulfonyl-1<i>H</i>-indol-2-yl)methyl]propionamide
• Authors of publication: Umadevi, M.; Dhayalan, V.; Mohanakrishnan, A. K.; Chakkaravarthi, G.; Manivannan, V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2916
• a: 10.9216 ± 0.0003 Å
• b: 23.1856 ± 0.0006 Å
• c: 9.4298 ± 0.0002 Å
• α: 90°
• β: 110.147 ± 0.001°
• γ: 90°
• Cell volume: 2241.74 ± 0.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes