Information card for entry 2231007

Structure parameters

• Chemical name: 4-Hydrazinylidene-1-methyl-3<i>H</i>-2λ^6^,1-benzothiazine-2,2-dione
• Formula: C9 H11 N3 O2 S
• Calculated formula: C9 H11 N3 O2 S
• SMILES: c12ccccc1/C(=N/N)CS(=O)(=O)N2C
• Title of publication: 4-Hydrazinylidene-1-methyl-3<i>H</i>-2λ^6^,1-benzothiazine-2,2-dione
• Authors of publication: Shafiq, Muhammad; Khan, Islam Ullah; Zia-ur-Rehman, Muhammad; Arshad, Muhammad Nadeem; Asiri, Abdullah M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2038
• a: 6.6643 ± 0.0002 Å
• b: 9.6834 ± 0.0003 Å
• c: 15.589 ± 0.0005 Å
• α: 90°
• β: 97.699 ± 0.001°
• γ: 90°
• Cell volume: 996.94 ± 0.05 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: 0.041
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes