Information card for entry 2311420

Structure parameters

• Chemical name: 1-Benzenesulfonyl-2-methyl-3-(4-nitrobenzoyl)-2,3-dihydro-1<i>H</i>-indole
• Formula: C22 H16 N2 O5 S
• Calculated formula: C22 H16 N2 O5 S
• SMILES: c1ccccc1S(=O)(=O)n1c2ccccc2c(c1C)C(=O)c1ccc(cc1)N(=O)=O
• Title of publication: Crystal structures of 1-benzene-sulfon-yl-2-methyl-3-(4-nitro-benzoyl)-2,3-di-hydro-1<i>H</i>-indole and 1-benzene-sulfon-yl-2-methyl-3-[(thio-phen-2-yl)carbon-yl]-2,3-di-hydro-1<i>H</i>-indole.
• Authors of publication: Dhanalakshmi, G.; Saravanan, Velu; Mohanakrishnan, Arasambattu K.; Aravindhan, S.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 10
• Pages of publication: 1555 - 1559
• a: 8.1358 ± 0.0002 Å
• b: 23.8364 ± 0.0007 Å
• c: 10.5983 ± 0.0003 Å
• α: 90°
• β: 110.21 ± 0.001°
• γ: 90°
• Cell volume: 1928.77 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0472
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No