Information card for entry 2235519

Structure parameters

• Common name: 1-Methyl-4-[1-(1-phenylethylidene)-hydrazin-2-ylidene]-3,4-dihydro-1<i>H</i>- 2λ^6^,1-benzothiazine-2,2-dione
• Chemical name: 1-Methyl-4-[1-(1-phenylethylidene)-hydrazin-2-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)=N/N=C(/c1ccccc1)C
• Title of publication: 1-Methyl-4-[1-(1-phenylethylidene)-hydrazin-2-ylidene]-3,4-dihydro-1<i>H</i>-2λ^6^,1-benzothiazine-2,2-dione
• Authors of publication: Shafiq, Muhammad; Khan, Islam Ullah; Zia-ur-Rehman, Muhammad; Mahmood, Tariq; Ashfaq, Muhammad; Ahmad, Saeed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2100
• a: 6.6678 ± 0.0002 Å
• b: 12.0783 ± 0.0006 Å
• c: 20.0529 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1614.97 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0694
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes