Information card for entry 1519247

Structure parameters

• Formula: C15 H19 N3 O3 S
• Calculated formula: C15 H19 N3 O3 S
• SMILES: C1CCCO1.S(=O)(=O)(N=c1[nH]cccc1)c1ccc(N)cc1
• Title of publication: 4-Amino-N-(1H-pyridin-2-ylidene)-benzenesulfonamide and tetrahydro-furan solvate
• Authors of publication: Threlfall, Terry L.; Coles, Simon J.; Hursthouse, Michael B.; Mayer, Thomas A.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2000
• Pages of publication: 183
• a: 10.97 ± 0.002 Å
• b: 12.766 ± 0.003 Å
• c: 11.5 ± 0.002 Å
• α: 90°
• β: 107.27 ± 0.03°
• γ: 90°
• Cell volume: 1537.9 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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 all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No