Information card for entry 2235033

Structure parameters

• Chemical name: <i>rac</i>-(3<i>S</i>,4<i>Z</i>)-3-Chloro-4-[2-(3- fluorobenzylidene)hydrazinylidene]- 3-chloro-1-methyl-3,4-dihydro-1<i>H</i>-2λ^6^,1-benzothiazine-2,2-dione
• Formula: C16 H13 Cl F N3 O2 S
• Calculated formula: C16 H13 Cl F N3 O2 S
• SMILES: ClC1S(=O)(=O)N(c2c(cccc2)C1=NN=Cc1cc(F)ccc1)C
• Title of publication: <i>rac</i>-(3<i>S</i>,4<i>Z</i>)-3-Chloro-4-[2-(3-fluorobenzylidene)hydrazinylidene]-1-methyl-3,4-dihydro-1<i>H</i>-2λ^6^,1-benzothiazine-2,2-dione
• Authors of publication: Shafiq, Muhammad; Tahir, M. Nawaz; Khan, Islam Ullah; Ahmad, Saeed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1787
• a: 7.0072 ± 0.0003 Å
• b: 8.9402 ± 0.0004 Å
• c: 13.3438 ± 0.0006 Å
• α: 98.184 ± 0.003°
• β: 90.51 ± 0.002°
• γ: 98.389 ± 0.003°
• Cell volume: 818.19 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1012
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes