Information card for entry 2233992

Structure parameters

• Chemical name: <i>N</i>-[2-(3,4-Dimethoxyphenyl)ethyl]-<i>N</i>-methylbenzenesulfonamide
• Formula: C17 H21 N O4 S
• Calculated formula: C17 H21 N O4 S
• SMILES: c1(ccccc1)S(=O)(=O)N(C)CCc1cc(c(cc1)OC)OC
• Title of publication: <i>N</i>-[2-(3,4-Dimethoxyphenyl)ethyl]-<i>N</i>-methylbenzenesulfonamide
• Authors of publication: Vennila, Jasmine P.; Thiruvadigal, D. John; Kamala, E. Theboral Sugi; Kavitha, Helen P.; Manivannan, V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o882
• a: 9.9383 ± 0.0003 Å
• b: 14.6494 ± 0.0004 Å
• c: 12.0097 ± 0.0003 Å
• α: 90°
• β: 108.535 ± 0.001°
• γ: 90°
• Cell volume: 1657.8 ± 0.08 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes