Information card for entry 2238964

Structure parameters

• Chemical name: (<i>E</i>)-1-[2-(2-Nitrostyryl)-1-phenylsulfonyl-1<i>H</i>-indol-3-yl]propan-1-one
• Formula: C25 H20 N2 O5 S
• Calculated formula: C25 H20 N2 O5 S
• SMILES: c12ccccc1c(c(/C=C/c1ccccc1N(=O)=O)n2S(=O)(=O)c1ccccc1)C(=O)CC
• Title of publication: (<i>E</i>)-1-[2-(2-Nitrostyryl)-1-phenylsulfonyl-1<i>H</i>-indol-3-yl]propan-1-one
• Authors of publication: Kanchanadevi, J.; Anbalagan, G.; Saravanan, V.; Mohanakrishnan, A. K.; Gunasekaran, B.; Manivannan, V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 2
• Pages of publication: o148
• a: 21.61 ± 0.0018 Å
• b: 8.3072 ± 0.0007 Å
• c: 25.898 ± 0.003 Å
• α: 90°
• β: 112.379 ± 0.002°
• γ: 90°
• Cell volume: 4299 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0852
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes