Information card for entry 2010446

Structure parameters

• Formula: C10 H10 N4 O2 S
• Calculated formula: C10 H10 N4 O2 S
• SMILES: Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1
• Title of publication: 4-Amino-<i>N</i>-(2-pyrimidinyl)benzenesulfonamide
• Authors of publication: Kokila, M. K.; Puttaraja, ?; Kulkarni, M. V.; Thampi, S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 2
• Pages of publication: 333 - 336
• a: 13.613 ± 0.005 Å
• b: 5.919 ± 0.009 Å
• c: 14.988 ± 0.002 Å
• α: 90°
• β: 114.563 ± 0.01°
• γ: 90°
• Cell volume: 1098.4 ± 1.7 ų
• Cell temperature: 300 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 significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.086
• Goodness-of-fit parameter for significantly intense reflections: 2.78
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No