Information card for entry 2241714

Structure parameters

• Chemical name: 6-Methoxy-<i>N</i>-(3-methoxyphenyl)-2-oxo-2<i>H</i>-chromene-3-carboxamide
• Formula: C18 H15 N O5
• Calculated formula: C18 H15 N O5
• SMILES: o1c(=O)c(cc2cc(OC)ccc12)C(=O)Nc1cc(OC)ccc1
• Title of publication: Crystal structures of three 6-substituted coumarin-3-carboxamide derivatives
• Authors of publication: Gomes, Lígia R.; Low, John Nicolson; Fonseca, André; Matos, Maria João; Borges, Fernanda
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 7
• Pages of publication: 926 - 932
• a: 6.7722 ± 0.0005 Å
• b: 8.3098 ± 0.0007 Å
• c: 14.4202 ± 0.0013 Å
• α: 91.874 ± 0.007°
• β: 100.009 ± 0.007°
• γ: 113.042 ± 0.007°
• Cell volume: 730.84 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0935
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.1414
• Weighted residual factors for all reflections included in the refinement: 0.1518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes