Information card for entry 2241268

Structure parameters

• Chemical name: 3-(2-Nitrophenyl)-1-(1-phenylsulfonyl-1<i>H</i>-indol-3-yl)propan-1-one
• Formula: C23 H18 N2 O5 S
• Calculated formula: C23 H18 N2 O5 S
• SMILES: c1(ccccc1)S(=O)(=O)n1c2ccccc2c(c1)C(=O)CCc1c(cccc1)N(=O)=O
• Title of publication: Crystal structure of 3-(2-nitrophenyl)-1-(1-phenylsulfonyl-1<i>H</i>-indol-3-yl)propan-1-one
• Authors of publication: Umadevi, M.; Raju, Potharaju; Yamuna, R.; Mohanakrishnan, Arasambattu K.; Chakkaravarthi, G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 11
• Pages of publication: o892 - o893
• a: 9.0224 ± 0.0007 Å
• b: 15.4581 ± 0.001 Å
• c: 15.1347 ± 0.001 Å
• α: 90°
• β: 106.349 ± 0.002°
• γ: 90°
• Cell volume: 2025.5 ± 0.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1029
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes