Information card for entry 2231820

Structure parameters

• Chemical name: <i>N</i>'-[(<i>E</i>)-1-(4-Bromophenyl)ethylidene]-4-hydroxy-2-methyl-1,1-dioxo-2<i>H</i>-1,2-benzothiazine-3-carbohydrazide
• Formula: C18 H16 Br N3 O4 S
• Calculated formula: C18 H16 Br N3 O4 S
• SMILES: c12ccccc1C(=C(C(=O)N/N=C(/c1ccc(cc1)Br)C)N(C)S2(=O)=O)O
• Title of publication: <i>N</i>'-[(<i>E</i>)-1-(4-Bromophenyl)ethylidene]-4-hydroxy-2-methyl-1,1-dioxo-2<i>H</i>-1,2-benzothiazine-3-carbohydrazide
• Authors of publication: Ahmad, Naveed; Zia-ur-Rehman, Muhammad; Siddiqui, Hamid Latif; Arshad, Muhammad Nadeem; Asiri, Abdullah M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2613
• a: 14.692 ± 0.002 Å
• b: 16.562 ± 0.002 Å
• c: 7.5254 ± 0.001 Å
• α: 90°
• β: 104.82 ± 0.001°
• γ: 90°
• Cell volume: 1770.2 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0438
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes