Information card for entry 2008355

Structure parameters

• Chemical name: 9-methyl-2-(4-tolylthio)-1,4-dihydroacridine-1,4-dione
• Formula: C21 H15 N O2 S
• Calculated formula: C21 H15 N O2 S
• SMILES: O=C1C(=CC(=O)c2nc3ccccc3c(c12)C)Sc1ccc(cc1)C
• Title of publication: 2-Ethylthio-9-methyl-1,4-dihydroacridine-1,4-dione and 9-methyl-2-(4-tolylthio)-1,4-dihydroacridine-1,4-dione
• Authors of publication: Baker, L.-J.; Clark, George R.; Copp, Brent R.; Hansen, Richard P.; Squire, Christopher J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 634 - 636
• a: 9.2792 ± 0.0002 Å
• b: 8.7627 ± 0.0002 Å
• c: 20.1726 ± 0.0005 Å
• α: 90°
• β: 98.445 ± 0.001°
• γ: 90°
• Cell volume: 1622.47 ± 0.07 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.043
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No