Information card for entry 2010292

Structure parameters

• Chemical name: 7-Amino-4-methylcoumarin
• Formula: C10 H9 N O2
• Calculated formula: C10 H9 N O2
• SMILES: Nc1ccc2c(c1)oc(=O)cc2C
• Title of publication: 7-Amino-4-methylcoumarin
• Authors of publication: Jasinski, Jerry P.; Woudenberg, Richard C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 12
• Pages of publication: 1954 - 1956
• a: 7.157 ± 0.001 Å
• b: 9.566 ± 0.001 Å
• c: 6.92 ± 0.001 Å
• α: 95.13 ± 0.01°
• β: 110.11 ± 0.01°
• γ: 71.78 ± 0.01°
• Cell volume: 422.49 ± 0.1 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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 significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.05
• Goodness-of-fit parameter for significantly intense reflections: 1.901
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No