Information card for entry 2235034

Structure parameters

• Chemical name: 4-[2-(Anthracen-9-ylmethylidene)hydrazinylidene]-3-chloro-1-methyl- 3,4-dihydro-1<i>H</i>-2λ^6^,1-benzothiazine-2,2-dione
• Formula: C24 H18 Cl N3 O2 S
• Calculated formula: C24 H18 Cl N3 O2 S
• SMILES: ClC1S(=O)(=O)N(c2c(cccc2)C1=NN=Cc1c2ccccc2cc2ccccc12)C
• Title of publication: 4-[2-(Anthracen-9-ylmethylidene)hydrazinylidene]-3-chloro-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; Bokhari, Tanveer Hussain; Asghar, Muhammad Nadeem
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1788
• a: 8.5133 ± 0.0004 Å
• b: 19.8999 ± 0.0008 Å
• c: 12.7849 ± 0.0006 Å
• α: 90°
• β: 105.026 ± 0.002°
• γ: 90°
• Cell volume: 2091.88 ± 0.16 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: 0.0659
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes