Information card for entry 2237506

Structure parameters

• Chemical name: 3-Chloro-4-[2-(4-chlorobenzylidene)hydrazinylidene]-1-methyl-3,4-dihydro-1<i>H</i>-2λ^6^,1-benzothiazine-2,2-dione
• Formula: C16 H13 Cl2 N3 O2 S
• Calculated formula: C16 H13 Cl2 N3 O2 S
• SMILES: c12ccccc1N(C)S(=O)(=O)C(C2=NN=Cc1ccc(cc1)Cl)Cl
• Title of publication: 3-Chloro-4-[2-(4-chlorobenzylidene)hydrazinylidene]-1-methyl-3,4-dihydro-1<i>H</i>-2λ^6^,1-benzothiazine-2,2-dione
• Authors of publication: Ahmad, Saeed; Shafiq, Muhammad; Tahir, M. Nawaz; Harrison, William T. A.; Khan, Islam Ullah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: o422 - o423
• a: 12.309 ± 0.002 Å
• b: 17.189 ± 0.003 Å
• c: 8.1837 ± 0.0013 Å
• α: 90°
• β: 101.632 ± 0.008°
• γ: 90°
• Cell volume: 1695.9 ± 0.5 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: 0.1258
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes