Information card for entry 1519279

Structure parameters

• Formula: C10 H10 N4 O2 S
• Calculated formula: C10 H10 N4 O2 S
• SMILES: n1c(nccc1)NS(=O)(=O)c1ccc(N)cc1
• Title of publication: 4-Amino-N-pyrimidin-2-yl-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: 186
• a: 13.681 ± 0.003 Å
• b: 5.8449 ± 0.0012 Å
• c: 14.859 ± 0.003 Å
• α: 90°
• β: 114.97 ± 0.03°
• γ: 90°
• Cell volume: 1077.1 ± 0.5 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: 0.0527
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No