Information card for entry 2231021

Structure parameters

• Chemical name: <i>N</i>-[2-(3,4-Dimethoxyphenyl)ethyl]-<i>N</i>,4-dimethylbenzenesulfonamide
• Formula: C18 H23 N O4 S
• Calculated formula: C18 H23 N O4 S
• SMILES: S(=O)(=O)(N(C)CCc1ccc(OC)c(OC)c1)c1ccc(cc1)C
• Title of publication: <i>N</i>-[2-(3,4-Dimethoxyphenyl)ethyl]-<i>N</i>,4-dimethylbenzenesulfonamide
• 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: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2186
• a: 5.7814 ± 0.0004 Å
• b: 13.9861 ± 0.0012 Å
• c: 21.9791 ± 0.0018 Å
• α: 90°
• β: 92.949 ± 0.004°
• γ: 90°
• Cell volume: 1774.9 ± 0.2 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: 0.0555
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes