Information card for entry 2241017

Structure parameters

• Chemical name: 4-Phenylsulfonyl-3<i>H</i>,4<i>H</i>-cyclopenta[<i>b</i>]indol-1(2<i>H</i>)-one
• Formula: C17 H13 N O3 S
• Calculated formula: C17 H13 N O3 S
• SMILES: c12ccccc1c1c(CCC1=O)n2S(=O)(=O)c1ccccc1
• Title of publication: Crystal structures of three indole derivatives: 3-ethnyl-2-methyl-1-phenylsulfonyl-1<i>H</i>-indole, 4-phenylsulfonyl-3<i>H</i>,4<i>H</i>-cyclopenta[<i>b</i>]indol-1(2<i>H</i>)-one and 1-{2-[(<i>E</i>)-2-(5-chloro-2-nitrophenyl)ethenyl]-1-phenylsulfonyl-1<i>H</i>-indol-3-yl}ethan-1-one chloroform monosolvate
• Authors of publication: Gopinath, S.; Sethusankar, K.; Ramalingam, Bose Muthu; Mohanakrishnan, Arasambattu K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 9
• Pages of publication: 1036 - 1041
• a: 9.8708 ± 0.0006 Å
• b: 12.3914 ± 0.0007 Å
• c: 13.1457 ± 0.0012 Å
• α: 102.706 ± 0.003°
• β: 96.552 ± 0.003°
• γ: 111.989 ± 0.002°
• Cell volume: 1419.7 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0451
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes