Information card for entry 2214806

Structure parameters

• Chemical name: <i>N</i>-(4-Methoxybenzyl)-3-[(1E)-3-oxo-3-phenylprop-1-en-1- yl]benzenesulfonamide
• Formula: C24 H23 N O5 S
• Calculated formula: C24 H23 N O5 S
• SMILES: c1(c(ccc(c1)/C=C/C(=O)c1ccccc1)OC)S(=O)(=O)NCc1ccc(cc1)OC
• Title of publication: <i>N</i>-(4-Methoxybenzyl)-3-[(1<i>E</i>)-3-oxo-3-phenylprop-1-en-1-yl]benzenesulfonamide
• Authors of publication: Andrighetti-Fröhner, Carla Regina; Nunes, Ricardo José; Silva, Luiz Everson da; Simões, Cláudia Maria Oliveira; Foro, Sabine
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3437 - o3438
• a: 10.754 ± 0.001 Å
• b: 10.95 ± 0.001 Å
• c: 11.307 ± 0.002 Å
• α: 65.02 ± 0.002°
• β: 65.64 ± 0.02°
• γ: 85.92 ± 0.02°
• Cell volume: 1090.9 ± 0.3 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes