Information card for entry 1519238

Structure parameters

• Formula: C14 H15 N3 O3 S
• Calculated formula: C14 H15 N3 O3 S
• SMILES: S(=O)(=O)(N=c1[nH]cccc1C)c1ccc(NC(=O)C)cc1
• Title of publication: N-[4-(3-Methyl-1H-pyridin-2-ylidene sulfamoyl)-phenyl]-acetamide
• 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: 179
• a: 8.1459 ± 0.0016 Å
• b: 14.656 ± 0.003 Å
• c: 12.532 ± 0.003 Å
• α: 90°
• β: 105.63 ± 0.03°
• γ: 90°
• Cell volume: 1440.8 ± 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: 0.0929
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No