Information card for entry 2213518

Structure parameters

• Chemical name: N-(4-Methylbenzyl)-N-(6-methyl-2-pyridyl)benzenesulfonamide
• Formula: C20 H20 N2 O2 S
• Calculated formula: C20 H20 N2 O2 S
• SMILES: S(=O)(=O)(N(Cc1ccc(cc1)C)c1nc(ccc1)C)c1ccccc1
• Title of publication: <i>N</i>-(4-Methylbenzyl)-<i>N</i>-(6-methyl-2-pyridyl)benzenesulfonamide
• Authors of publication: Çaylak, Nagihan; Hökelek, Tuncer; Hasırcı, Serdar; Ergün, Yavuz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2261 - o2262
• a: 8.8386 ± 0.0001 Å
• b: 9.879 ± 0.0002 Å
• c: 10.5647 ± 0.0002 Å
• α: 89.589 ± 0.005°
• β: 82.226 ± 0.006°
• γ: 81.737 ± 0.008°
• Cell volume: 904.44 ± 0.04 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0831
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1507
• Weighted residual factors for all reflections included in the refinement: 0.1631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.177
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes