Information card for entry 1519283

Structure parameters

• Formula: C13 H14 N2 O2 S
• Calculated formula: C13 H14 N2 O2 S
• SMILES: S(=O)([O-])(=Nc1[nH+]ccc(c1)C)c1ccc(cc1)C
• Title of publication: 4-Methyl-N-(4-methyl-1H-pyridin-2-ylidene)-benzenesulfonamide
• Authors of publication: Coles, Simon J.; Hursthouse, Michael B.; Mayer, Thomas A.; Threlfall, Terry L.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2000
• Pages of publication: 193
• a: 10.778 ± 0.002 Å
• b: 15.436 ± 0.003 Å
• c: 15.688 ± 0.003 Å
• α: 90°
• β: 102.46 ± 0.03°
• γ: 90°
• Cell volume: 2548.5 ± 0.9 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2038
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No