Information card for entry 1519192

Structure parameters

• Formula: C17 H18 N4 O2 S
• Calculated formula: C17 H18 N4 O2 S
• SMILES: S(=O)(=O)(N=c1[nH]cccc1)c1ccc(N)cc1.c1(ccncc1)C
• Title of publication: 4-Amino-N-pyridin-2-yl-benzenesulfonamide and 4-methyl-pyridine solvate
• Authors of publication: Threlfall, Terry L; Coles, Simon J.; Hursthouse, Michael B.; Ward, Suzanna C
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 1998
• Pages of publication: 160
• a: 8.252 ± 0.002 Å
• b: 10.535 ± 0.002 Å
• c: 19.923 ± 0.004 Å
• α: 90°
• β: 99.17 ± 0.03°
• γ: 90°
• Cell volume: 1709.9 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 0.88
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No