Information card for entry 1519215

Structure parameters

• Common name: Benzenesulfonamidopyrazine
• Chemical name: Benzenesulfonamidopyrazine
• Formula: C10 H9 N3 O2 S
• Calculated formula: C10 H9 N3 O2 S
• SMILES: S(=O)(=O)(Nc1nccnc1)c1ccccc1
• Title of publication: N-(1,4-Dihydro-pyrazin-2-yl)-benzenesulfonamide
• Authors of publication: Threlfall, Terry L; Coles, Simon J.; Ward, Suzanna C.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 1999
• Pages of publication: 165
• a: 6.05 ± 0.001 Å
• b: 7.855 ± 0.002 Å
• c: 12.195 ± 0.002 Å
• α: 92.78 ± 0.03°
• β: 103.54 ± 0.03°
• γ: 111.46 ± 0.03°
• Cell volume: 518.6 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No