Information card for entry 2237275

Structure parameters

• Chemical name: 3-Chloro-1-methyl-4-[2-(3-phenylallylidene)hydrazinylidene]-3,4-dihydro-1<i>H</i>-2λ^6^,1-benzothiazine-2,2-dione
• Formula: C18 H16 Cl N3 O2 S
• Calculated formula: C18 H16 Cl N3 O2 S
• SMILES: c12ccccc1N(C)S(=O)(=O)C(C2=NN=CC=Cc1ccccc1)Cl
• Title of publication: 3-Chloro-1-methyl-4-[2-(3-phenylallylidene)hydrazinylidene]-3,4-dihydro-1<i>H</i>-2λ^6^,1-benzothiazine-2,2-dione
• Authors of publication: Shafiq, Muhammad; Tahir, M. Nawaz; Harrison, William T. A.; Khan, Islam Ullah; Shafique, Sidra
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: o165
• a: 7.2262 ± 0.0005 Å
• b: 13.5823 ± 0.0009 Å
• c: 17.9818 ± 0.0012 Å
• α: 90°
• β: 97.023 ± 0.004°
• γ: 90°
• Cell volume: 1751.6 ± 0.2 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: 0.1177
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1748
• Weighted residual factors for all reflections included in the refinement: 0.2011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes