Information card for entry 2011260

Structure parameters

• Chemical name: 7-Methoxy-3-(salicylideneamino)coumarin
• Formula: C17 H13 N O4
• Calculated formula: C17 H13 N O4
• SMILES: O1C(=O)C(/N=C/c2c(O)cccc2)=Cc2c1cc(OC)cc2
• Title of publication: 7-Methoxy-3-(salicylideneamino)coumarin
• Authors of publication: Khoo, Lian Ee; Zhang, Yiqun; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 8
• Pages of publication: e350 - e351
• a: 6.66 ± 0.001 Å
• b: 31.984 ± 0.008 Å
• c: 7.123 ± 0.002 Å
• α: 90°
• β: 114.93 ± 0.02°
• γ: 90°
• Cell volume: 1375.9 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.108
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes