Information card for entry 2229387

Structure parameters

• Chemical name: 3-Iodo-2-methyl-1-phenylsulfonyl-1<i>H</i>-indole
• Formula: C15 H12 I N O2 S
• Calculated formula: C15 H12 I N O2 S
• SMILES: c1(ccccc1)S(=O)(=O)n1c(c(c2ccccc12)I)C
• Title of publication: 3-Iodo-2-methyl-1-phenylsulfonyl-1<i>H</i>-indole
• Authors of publication: Ramathilagam, C.; Saravanan, Velu; Mohanakrishnan, A. K.; Chakkaravarthi, G.; Umarani, P. R.; Manivannan, V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o632
• a: 10.7068 ± 0.0003 Å
• b: 16.267 ± 0.0004 Å
• c: 8.5147 ± 0.0002 Å
• α: 90°
• β: 104.54 ± 0.001°
• γ: 90°
• Cell volume: 1435.49 ± 0.06 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• 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: 0.0645
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes