Information card for entry 2241713

Structure parameters

• Chemical name: 6-Methyl-<i>N</i>-(3-methoxyphenyl)-2-oxo-2<i>H</i>-chromene-3-carboxamide
• Formula: C18 H15 N O4
• Calculated formula: C18 H15 N O4
• SMILES: o1c2c(cc(c1=O)C(=O)Nc1cc(OC)ccc1)cc(cc2)C
• 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: 7.1028 ± 0.0004 Å
• b: 10.1367 ± 0.0004 Å
• c: 10.8171 ± 0.0005 Å
• α: 75.827 ± 0.004°
• β: 88.318 ± 0.004°
• γ: 71.271 ± 0.004°
• Cell volume: 714.1 ± 0.06 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: 0.0576
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1304
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes