Information card for entry 2015997

Structure parameters

• Chemical name: 4-amino-<i>N</i>-(2-pyridyl)benzenesulfonamide
• Formula: C11 H11 N3 O2 S
• Calculated formula: C11 H11 N3 O2 S
• SMILES: S(=O)(=O)(Nc1ncccc1)c1ccc(N)cc1
• Title of publication: Polymorph VI of sulfapyridine: interpenetrating two- and three-dimensional hydrogen-bonded nets formed from two tautomeric forms
• Authors of publication: Gelbrich, Thomas; Threlfall, Terence L.; Bingham, Ann L.; Hursthouse, Michael B.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o323 - o326
• a: 10.827 ± 0.002 Å
• b: 14.932 ± 0.003 Å
• c: 15.486 ± 0.003 Å
• α: 90°
• β: 110.07 ± 0.03°
• γ: 90°
• Cell volume: 2351.6 ± 0.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1315
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 0.904
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes