Information card for entry 2237353

Structure parameters

• Chemical name: 1-Ethyl-4-{2-[1-(4-methylphenyl)ethylidene]hydrazinylidene}-3,4-dihydro-1<i>H</i>-2λ^6^,1-benzothiazine-2,2-dione
• Formula: C19 H21 N3 O2 S
• Calculated formula: C19 H21 N3 O2 S
• SMILES: c12ccccc1N(CC)S(=O)(=O)CC2=NN=C(C)c1ccc(cc1)C
• Title of publication: 1-Ethyl-4-{2-[1-(4-methylphenyl)ethylidene]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.; Bokhari, Tanveer Hussain; Safder, Muhammad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: o200
• a: 15.9018 ± 0.001 Å
• b: 7.3716 ± 0.0004 Å
• c: 16.8376 ± 0.001 Å
• α: 90°
• β: 111.644 ± 0.003°
• γ: 90°
• Cell volume: 1834.57 ± 0.19 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: 0.0703
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1232
• Weighted residual factors for all reflections included in the refinement: 0.1387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes