Information card for entry 2231265

Structure parameters

• Chemical name: 6-Bromo-1-methyl-4-[2-(4-methylbenzylidene)hydrazinylidene]-3<i>H</i>-2λ^6^,1-benzothiazine-2,2-dione
• Formula: C17 H16 Br N3 O2 S
• Calculated formula: C17 H16 Br N3 O2 S
• SMILES: Brc1ccc2N(S(=O)(=O)CC(=NN=Cc3ccc(cc3)C)c2c1)C
• Title of publication: 6-Bromo-1-methyl-4-[2-(4-methylbenzylidene)hydrazinylidene]-3<i>H</i>-2λ^6^,1-benzothiazine-2,2-dione
• Authors of publication: Shafiq, Muhammad; Khan, Islam Ullah; Zia-ur-Rehman, Muhammad; Arshad, Muhammad Nadeem; Asiri, Abdullah M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2092
• a: 9.1077 ± 0.0006 Å
• b: 6.8328 ± 0.0004 Å
• c: 14.1765 ± 0.0009 Å
• α: 90°
• β: 96.807 ± 0.003°
• γ: 90°
• Cell volume: 876 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes