Information card for entry 2231816

Structure parameters

• Chemical name: Ethyl 1-phenylsulfonyl-1<i>H</i>-indole-2-carboxylate
• Formula: C17 H15 N O4 S
• Calculated formula: C17 H15 N O4 S
• SMILES: c12ccccc1cc(C(=O)OCC)n2S(=O)(=O)c1ccccc1
• Title of publication: Ethyl 1-phenylsulfonyl-1<i>H</i>-indole-2-carboxylate
• Authors of publication: Ramathilagam, C.; Saravanan, V.; Mohanakrishnan, A. K.; Umarani, P. R.; Manivannan, V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2549
• a: 10.6936 ± 0.0006 Å
• b: 7.5331 ± 0.0004 Å
• c: 19.5654 ± 0.0012 Å
• α: 90°
• β: 96.647 ± 0.002°
• γ: 90°
• Cell volume: 1565.52 ± 0.15 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: 0.0603
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes