Information card for entry 1519218

Structure parameters

• Formula: C12 H12 N4 O3 S
• Calculated formula: C12 H12 N4 O3 S
• SMILES: S(=O)(=O)(Nc1nccnc1)c1ccc(NC(=O)C)cc1
• Title of publication: N-[4-(1,4-Dihhydro-pyrazin-2-ylsulfamoyl]-acetamide
• 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: 168
• a: 8.453 ± 0.002 Å
• b: 11.809 ± 0.002 Å
• c: 14.541 ± 0.003 Å
• α: 104.79 ± 0.03°
• β: 104.05 ± 0.03°
• γ: 98.4 ± 0.03°
• Cell volume: 1327.5 ± 0.6 ų
• Cell temperature: 320 ± 2 K
• Ambient diffraction temperature: 320 ± 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: 0.0954
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No