Information card for entry 2238934

Structure parameters

• Chemical name: (<i>E</i>)-1-[2-(4-Chloro-2-nitrostyryl)-1-phenylsulfonyl-1<i>H</i>-indol-3-yl]propan-1-one
• Formula: C25 H19 Cl N2 O5 S
• Calculated formula: C25 H19 Cl N2 O5 S
• SMILES: c1(ccccc1)S(=O)(=O)n1c(c(c2ccccc12)C(=O)CC)/C=C/c1ccc(cc1N(=O)=O)Cl
• Title of publication: (<i>E</i>)-1-[2-(4-Chloro-2-nitrostyryl)-1-phenylsulfonyl-1<i>H</i>-indol-3-yl]propan-1-one
• Authors of publication: Umadevi, M.; Saravanan, V.; Yamuna, R.; Mohanakrishnan, A. K.; Chakkaravarthi, G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: o1784
• a: 8.4658 ± 0.0003 Å
• b: 8.6643 ± 0.0003 Å
• c: 16.1126 ± 0.0006 Å
• α: 84.196 ± 0.002°
• β: 87.768 ± 0.003°
• γ: 79.541 ± 0.002°
• Cell volume: 1156.01 ± 0.07 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0728
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1327
• Weighted residual factors for all reflections included in the refinement: 0.1496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No