Information card for entry 2231561

Structure parameters

• Chemical name: 2-(4-Methylphenyl)-1-phenylsulfonyl-3-nitro-1,2-dihydroquinoline
• Formula: C22 H18 N2 O4 S
• Calculated formula: C22 H18 N2 O4 S
• SMILES: c12ccccc1C=C(C(c1ccc(cc1)C)N2S(=O)(=O)c1ccccc1)N(=O)=O
• Title of publication: 2-(4-Methylphenyl)-1-phenylsulfonyl-3-nitro-1,2-dihydroquinoline
• Authors of publication: Kanchanadevi, J.; Anbalagan, G.; Saravanan, V.; Mohanakrishnan, A. K.; Manivannan, V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2225
• a: 9.7349 ± 0.0005 Å
• b: 17.0241 ± 0.0009 Å
• c: 12.1068 ± 0.0006 Å
• α: 90°
• β: 90.24 ± 0.002°
• γ: 90°
• Cell volume: 2006.42 ± 0.18 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.089
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No