Information card for entry 2237369

Structure parameters

• Chemical name: 6-Bromo-1-methyl-4-[2-(1-phenylethylidene)hydrazinylidene]- 3,4-dihydro-1<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: Brc1cc2C(=NN=C(c3ccccc3)C)CS(=O)(=O)N(c2cc1)C
• Title of publication: 6-Bromo-1-methyl-4-[2-(1-phenylethylidene)hydrazinylidene]-3,4-dihydro-1<i>H</i>-2λ^6^,1-benzothiazine-2,2-dione
• Authors of publication: Shafiq, Muhammad; Tahir, M. Nawaz; Harrison, William T. A.; Bukhari, Iftikhar Hussain; Khan, Islam Ullah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: o164
• a: 16.4369 ± 0.0013 Å
• b: 6.54 ± 0.0005 Å
• c: 16.5025 ± 0.0017 Å
• α: 90°
• β: 104.312 ± 0.004°
• γ: 90°
• Cell volume: 1718.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0646
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes