Information card for entry 2233364

Structure parameters

• Chemical name: 2-{(<i>E</i>)-[(2<i>Z</i>)-(3-Chloro-1-methyl-2,2-dioxo-3,4-dihydro- 1<i>H</i>-2,1-benzothiazin-4-ylidene)hydrazinylidene]methyl}phenol
• Formula: C16 H14 Cl N3 O3 S
• Calculated formula: C16 H14 Cl N3 O3 S
• SMILES: ClC1S(=O)(=O)N(c2ccccc2/C1=N/N=C/c1c(O)cccc1)C
• Title of publication: 2-{(<i>E</i>)-[(2<i>Z</i>)-(3-Chloro-1-methyl-2,2-dioxo-3,4-dihydro-1<i>H</i>-2,1-benzothiazin-4-ylidene)hydrazinylidene]methyl}phenol
• 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: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o307
• a: 7.0973 ± 0.0005 Å
• b: 12.0957 ± 0.0007 Å
• c: 18.7396 ± 0.0013 Å
• α: 90°
• β: 96.058 ± 0.004°
• γ: 90°
• Cell volume: 1599.75 ± 0.18 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: 0.1378
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.1805
• Weighted residual factors for all reflections included in the refinement: 0.2109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes