Information card for entry 1519219

Structure parameters

• Common name: tosylamido-5-chloropyridine
• Chemical name: tosylamido-5-chloropyridine
• Formula: C12 H11 Cl N2 O2 S
• Calculated formula: C12 H11 Cl N2 O2 S
• SMILES: S(=O)(=O)(Nc1ncc(Cl)cc1)c1ccc(C)cc1
• Title of publication: N-(5-Chloro-pyridin-2-yl)-4-methyl-benzenesulfonamide
• Authors of publication: Threlfall, Terry L.; Coles, Simon J.; Ward, Suzanna C.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 1999
• Pages of publication: 176
• a: 9.748 ± 0.002 Å
• b: 10.889 ± 0.002 Å
• c: 12.473 ± 0.002 Å
• α: 80.32 ± 0.03°
• β: 79.02 ± 0.03°
• γ: 74.54 ± 0.03°
• Cell volume: 1243 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No