Information card for entry 2210500

Structure parameters

• Chemical name: 4-Methyl-7-(salicylideneamino)coumarin
• Formula: C17 H13 N O3
• Calculated formula: C17 H13 N O3
• SMILES: Oc1c(cccc1)/C=N/c1ccc2c(OC(=O)C=C2C)c1
• Title of publication: 4-Methyl-7-(salicylideneamino)coumarin
• Authors of publication: Aazam, Elham S.; Fawzia, Amal; Peter B. Hitchcock
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4285 - o4287
• a: 8.7209 ± 0.0003 Å
• b: 9.9919 ± 0.0003 Å
• c: 15.3906 ± 0.0004 Å
• α: 90°
• β: 97.853 ± 0.002°
• γ: 90°
• Cell volume: 1328.53 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes