Information card for entry 2241018

Structure parameters

• Chemical name: 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
• Formula: C25 H18 Cl4 N2 O5 S
• Calculated formula: C25 H18 Cl4 N2 O5 S
• SMILES: c12ccccc1c(c(/C=C/c1cc(ccc1N(=O)=O)Cl)n2S(=O)(=O)c1ccccc1)C(=O)C.C(Cl)(Cl)Cl
• 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: 9.5856 ± 0.0003 Å
• b: 11.2767 ± 0.0004 Å
• c: 13.1782 ± 0.0004 Å
• α: 104.907 ± 0.0011°
• β: 108.235 ± 0.0009°
• γ: 91.581 ± 0.001°
• Cell volume: 1298.32 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes