Information card for entry 2211052

Structure parameters

• Chemical name: 3-[(1-Benzylamino)ethylidene]-2H-chromene-2,4(3H)-dione
• Formula: C18 H15 N O3
• Calculated formula: C18 H15 N O3
• SMILES: O1c2c(C(=O)C(C1=O)=C(NCc1ccccc1)C)cccc2
• Title of publication: 3-[(1-Benzylamino)ethylidene]-2<i>H</i>-chromene-2,4(3<i>H</i>)-dione
• Authors of publication: Małecka, Magdalena; Budzisz, Elżbieta
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o5058 - o5060
• a: 8.385 ± 0.002 Å
• b: 9.403 ± 0.002 Å
• c: 9.871 ± 0.002 Å
• α: 81.6 ± 0.02°
• β: 85.35 ± 0.02°
• γ: 66.75 ± 0.02°
• Cell volume: 707.2 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0563
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes