Information card for entry 7202960

Structure parameters

• Common name: 7-amino-4-methylcoumarin
• Chemical name: 7-amino-4-methylcoumarin
• Formula: C10 H9 N O2
• Calculated formula: C10 H9 N O2
• SMILES: c1(=O)cc(c2ccc(cc2o1)N)C
• Title of publication: New crystalline form of 7-amino-4-methylcoumarin (coumarin 120)—a polymorph with 1 ∶ 1 valence tautomers
• Authors of publication: Niedziałek, Dorota; Urbanczyk-Lipkowska, Zofia
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 9
• Pages of publication: 735
• a: 9.7381 ± 0.001 Å
• b: 25.655 ± 0.003 Å
• c: 13.6416 ± 0.0014 Å
• α: 90°
• β: 105.04 ± 0.009°
• γ: 90°
• Cell volume: 3291.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1079
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No