Information card for entry 2232604

Structure parameters

• Chemical name: Methyl (<i>Z</i>)-2-{[<i>N</i>-(2-formylphenyl)-4- methylbenzenesulfonamido]methyl}-3-phenylprop-2-enoate
• Formula: C25 H23 N O5 S
• Calculated formula: C25 H23 N O5 S
• SMILES: c1(ccccc1C=O)N(C/C(=C\c1ccccc1)C(=O)OC)S(=O)(=O)c1ccc(cc1)C
• Title of publication: Methyl (<i>Z</i>)-2-{[<i>N</i>-(2-formylphenyl)-4-methylbenzenesulfonamido]methyl}-3-phenylprop-2-enoate
• Authors of publication: Madhanraj, R.; Murugavel, S.; Kannan, D.; Bakthadoss, M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3511
• a: 9.7475 ± 0.0005 Å
• b: 21.7053 ± 0.0012 Å
• c: 11.2643 ± 0.0006 Å
• α: 90°
• β: 109.987 ± 0.002°
• γ: 90°
• Cell volume: 2239.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0823
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1529
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes