Information card for entry 2236101

Structure parameters

• Chemical name: 2-{[2-(1-Methyl-2,2-dioxo-3,4-dihydro-1<i>H</i>-2λ^6^,1-benzothiazin-4-ylidene)hydrazin-1-ylidene]methyl}phenol
• Formula: C16 H15 N3 O3 S
• Calculated formula: C16 H15 N3 O3 S
• SMILES: CN1c2ccccc2C(CS1(=O)=O)=NN=Cc1c(cccc1)O
• Title of publication: 2-{[2-(1-Methyl-2,2-dioxo-3,4-dihydro-1<i>H</i>-2λ^6^,1-benzothiazin-4-ylidene)hydrazin-1-ylidene]methyl}phenol
• Authors of publication: Shafiq, Muhammad; Harrison, William T. A.; Khan, Islam Ullah; Bukhari, Iftikhar Hussain; Bokhari, Tanveer Hussain
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2643
• a: 6.553 ± 0.0002 Å
• b: 15.8719 ± 0.0005 Å
• c: 14.5804 ± 0.0004 Å
• α: 90°
• β: 91.147 ± 0.001°
• γ: 90°
• Cell volume: 1516.18 ± 0.08 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: 0.0512
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes