Information card for entry 2236760

Structure parameters

• Chemical name: (4<i>Z</i>)-1-Methyl-4-[(2<i>E</i>)-2-(4-methylbenzylidene)hydrazin-1- ylidene]-3,4-dihydro-1<i>H</i>-2λ^6^,1-benzothiazine-2,2-dione
• Formula: C17 H17 N3 O2 S
• Calculated formula: C17 H17 N3 O2 S
• SMILES: c12ccccc1C(CS(=O)(=O)N2C)=NN=Cc1ccc(cc1)C
• Title of publication: (4<i>Z</i>)-1-Methyl-4-[(2<i>E</i>)-2-(4-methylbenzylidene)hydrazin-1-ylidene]-3,4-dihydro-1<i>H</i>-2λ^6^,1-benzothiazine-2,2-dione
• Authors of publication: Shafiq, Muhammad; Harrison, William T. A.; Khan, Islam Ullah; Ejaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o2971
• a: 7.899 ± 0.001 Å
• b: 25.061 ± 0.003 Å
• c: 8.1743 ± 0.0011 Å
• α: 90°
• β: 101.114 ± 0.009°
• γ: 90°
• Cell volume: 1587.8 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1582
• Residual factor for significantly intense reflections: 0.1197
• Weighted residual factors for significantly intense reflections: 0.3241
• Weighted residual factors for all reflections included in the refinement: 0.3466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes