Information card for entry 2214807

Structure parameters

• Chemical name: 5-[(8-Hydroxyquinolin-2-ylamino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione
• Formula: C16 H14 N2 O5
• Calculated formula: C16 H14 N2 O5
• SMILES: c1(ccc2cccc(c2n1)O)NC=C1C(=O)OC(C)(C)OC1=O
• Title of publication: 5-[(8-Hydroxyquinolin-2-ylamino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione
• Authors of publication: Silva, Luiz Everson da; Sousa Jr, Paulo Teixeira de; Dall'Oglio, Evandro Luiz; Foro, Sabine
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3439 - o3439
• a: 7.445 ± 0.002 Å
• b: 8.44 ± 0.002 Å
• c: 12.906 ± 0.003 Å
• α: 77.31 ± 0.01°
• β: 86.81 ± 0.02°
• γ: 73.15 ± 0.01°
• Cell volume: 757.2 ± 0.3 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes