Information card for entry 2209028

Structure parameters

• Chemical name: N'-(2-Hydroxybenzoyl)-2-oxo-2H-chromene-3-carbohydrazide
• Formula: C17 H12 N2 O5
• Calculated formula: C17 H12 N2 O5
• SMILES: N(NC(=O)c1c(O)cccc1)C(=O)c1c(=O)oc2ccccc2c1
• Title of publication: <i>N</i>'-(2-Hydroxybenzoyl)-2-oxo-2<i>H</i>-chromene-3-carbohydrazide
• Authors of publication: Zhan, Yan; Lin, Shukun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o2097 - o2098
• a: 9.467 ± 0.004 Å
• b: 11.766 ± 0.004 Å
• c: 13.268 ± 0.007 Å
• α: 90°
• β: 100.96 ± 0.02°
• γ: 90°
• Cell volume: 1450.9 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0534
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes