Information card for entry 2229776

Structure parameters

• Chemical name: Phenyl(1-phenylsulfonyl-1<i>H</i>-indol-2-yl)methanone
• Formula: C21 H15 N O3 S
• Calculated formula: C21 H15 N O3 S
• SMILES: O=C(c1cc2c(n1S(=O)(=O)c1ccccc1)cccc2)c1ccccc1
• Title of publication: Phenyl(1-phenylsulfonyl-1<i>H</i>-indol-2-yl)methanone
• Authors of publication: Ranjith, S.; SubbiahPandi, A.; Govindan, E.; Dhayalan, V.; MohanaKrishnan, A. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o844
• a: 9.3291 ± 0.0006 Å
• b: 11.1498 ± 0.0007 Å
• c: 17.8134 ± 0.001 Å
• α: 89.433 ± 0.003°
• β: 81.623 ± 0.002°
• γ: 71.993 ± 0.003°
• Cell volume: 1742.13 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes