Information card for entry 2233474

Structure parameters

• Chemical name: (3<i>S</i>,4<i>Z</i>)-3-Chloro-1-methyl-4-[(2<i>E</i>)-(3- methylbenzylidene)hydrazinylidene]-3,4-dihydro-1<i>H</i>-2,1-benzothiazine 2,2-dioxide
• Formula: C17 H16 Cl N3 O2 S
• Calculated formula: C17 H16 Cl N3 O2 S
• SMILES: Cl[C@@H]1S(=O)(=O)N(c2ccccc2/C1=N/N=C/c1cccc(c1)C)C
• Title of publication: (3<i>S</i>,4<i>Z</i>)-3-Chloro-1-methyl-4-[(2<i>E</i>)-(3-methylbenzylidene)hydrazinylidene]-3,4-dihydro-1<i>H</i>-2,1-benzothiazine 2,2-dioxide
• Authors of publication: Shafiq, Muhammad; Tahir, M. Nawaz; Khan, Islam Ullah; Zia-Ur-Rehman, Muhammad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o338
• a: 8.7734 ± 0.0002 Å
• b: 11.1271 ± 0.0002 Å
• c: 17.9423 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1751.57 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes