Information card for entry 2227452

Structure parameters

• Chemical name: 4-Amino-<i>N</i>-(3-methoxypyrazin-2-yl)benzenesulfonamide
• Formula: C11 H12 N4 O3 S
• Calculated formula: C11 H12 N4 O3 S
• SMILES: S(=O)(=O)(Nc1c(nccn1)OC)c1ccc(cc1)N
• Title of publication: 4-Amino-<i>N</i>-(3-methoxypyrazin-2-yl)benzenesulfonamide
• Authors of publication: Bruni, Bruno; Coran, Silvia A.; Bartolucci, Gianluca; Di Vaira, Massimo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2663
• a: 10.7589 ± 0.0002 Å
• b: 9.5652 ± 0.0002 Å
• c: 24.5586 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2527.35 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes