Information card for entry 2008354

Structure parameters

• Chemical name: 2-Ethylthio-9-methyl-1,4-dihydroacridine-1,4-dione
• Formula: C16 H13 N O2 S
• Calculated formula: C16 H13 N O2 S
• SMILES: C1(=O)C(=CC(=O)c2c1c(c1ccccc1n2)C)SCC
• 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: 7.736 ± 0.006 Å
• b: 11.69 ± 0.004 Å
• c: 14.704 ± 0.005 Å
• α: 82.58 ± 0.04°
• β: 79.28 ± 0.04°
• γ: 88.56 ± 0.04°
• Cell volume: 1295.6 ± 1.2 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.092
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.154
• 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: No