Information card for entry 2022852

Structure parameters

• Chemical name: Methyl 2-(2-oxo-2<i>H</i>-chromen-4-yl)benzoate
• Formula: C17 H13 N O4
• Calculated formula: C17 H13 N O4
• Title of publication: Synthesis, characterization and crystal structure of methyl 2-(2-oxo-2H-chromen-4-ylamino)benzoate
• Authors of publication: Hollauer, Henrique V. P.; Vilas Novas, Rachel C.; Guedes, Guilherme P.; Buarque, Camilla D.; Escobar, Lívia B. L.
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: 9
• Pages of publication: 842 - 846
• a: 12.7698 ± 0.0016 Å
• b: 14.9212 ± 0.0018 Å
• c: 7.1087 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1354.5 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1539
• Weighted residual factors for all reflections included in the refinement: 0.1584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes