Information card for entry 1519284

Structure parameters

• Formula: C16 H20 N3 O4 S
• Calculated formula: C16 H20 N3 O4 S
• Title of publication: 4-Amino-N-Pyridin-2-yl-benzenesulfonamide with Formic acid butyl ester
• Authors of publication: Coles, Simon J.; Hursthouse, Michael B.; Mayer, Thomas A.; Threlfall, Terry L.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2000
• Pages of publication: 196
• a: 8.8031 ± 0.0018 Å
• b: 9.6811 ± 0.0019 Å
• c: 10.862 ± 0.002 Å
• α: 83.99 ± 0.03°
• β: 71.84 ± 0.03°
• γ: 78.35 ± 0.03°
• Cell volume: 860.6 ± 0.3 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: 0.0644
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No