Information card for entry 2239008

Structure parameters

• Chemical name: (<i>E</i>)-2-Bromo-1-[2-(2-nitrostyryl)-1-phenylsulfonyl-1<i>H</i>-indol-3-yl]ethanone
• Formula: C24 H17 Br N2 O5 S
• Calculated formula: C24 H17 Br N2 O5 S
• SMILES: c12ccccc1c(c(/C=C/c1ccccc1N(=O)=O)n2S(=O)(=O)c1ccccc1)C(=O)CBr
• Title of publication: (<i>E</i>)-2-Bromo-1-[2-(2-nitrostyryl)-1-phenylsulfonyl-1<i>H</i>-indol-3-yl]ethanone
• 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: o149
• a: 10.1823 ± 0.0007 Å
• b: 8.0932 ± 0.0006 Å
• c: 13.8111 ± 0.0012 Å
• α: 90°
• β: 102.749 ± 0.002°
• γ: 90°
• Cell volume: 1110.08 ± 0.15 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes