Information card for entry 2233759

Structure parameters

• Chemical name: <i>N</i>-[2-(3,4-Dimethoxyphenyl)ethyl]-<i>N</i>-methylnaphthalene-1-sulfonamide
• Formula: C21 H23 N O4 S
• Calculated formula: C21 H23 N O4 S
• SMILES: c1(c2ccccc2ccc1)S(=O)(=O)N(C)CCc1ccc(c(c1)OC)OC
• Title of publication: <i>N</i>-[2-(3,4-Dimethoxyphenyl)ethyl]-<i>N</i>-methylnaphthalene-1-sulfonamide
• Authors of publication: Vennila, Jasmine P.; Thiruvadigal, D. John; Kavitha, Helen P.; Chakkaravarthi, G.; Manivannan, V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o890
• a: 10.07 ± 0.005 Å
• b: 14.12 ± 0.004 Å
• c: 27.229 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3872 ± 2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes