Information card for entry 2231540

Structure parameters

• Chemical name: <i>N</i>-Benzyl-5-(dimethylamino)naphthalene-1-sulfonamide
• Formula: C19 H20 N2 O2 S
• Calculated formula: C19 H20 N2 O2 S
• SMILES: S(=O)(=O)(NCc1ccccc1)c1cccc2c(N(C)C)cccc12
• Title of publication: <i>N</i>-Benzyl-5-(dimethylamino)naphthalene-1-sulfonamide
• Authors of publication: Bhatt, Pralav; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2458 - o2459
• a: 16.6635 ± 0.0005 Å
• b: 9.5722 ± 0.0002 Å
• c: 22.8942 ± 0.0007 Å
• α: 90°
• β: 108.779 ± 0.001°
• γ: 90°
• Cell volume: 3457.38 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes