Information card for entry 2003946

Structure parameters

• Chemical name: 3-Benzamido-4H-pyrido[4,3-e]-1,2,4-thiadiazine 1,1-Dioxide
• Formula: C13 H10 N4 O3 S
• Calculated formula: C13 H10 N4 O3 S
• SMILES: S1(=O)(=O)N=C(Nc2ccncc12)NC(=O)c1ccccc1
• Title of publication: 3-Benzamido-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-Dioxide
• Authors of publication: Dupont, L.; De Tullio, P.; Pirotte, B.; Masereel, B.; Delarge, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 9
• Pages of publication: 1903 - 1905
• a: 9.5563 ± 0.0003 Å
• b: 13.8791 ± 0.0008 Å
• c: 10.929 ± 0.0008 Å
• α: 90°
• β: 111.648 ± 0.002°
• γ: 90°
• Cell volume: 1347.3 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for all reflections: 0.0874
• Weighted residual factors for significantly intense reflections: 0.085
• Goodness-of-fit parameter for all reflections: 1.039
• Goodness-of-fit parameter for significantly intense reflections: 1.109
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No