Information card for entry 2231578

Structure parameters

• Chemical name: <i>N</i>-[4-(7-Methoxy-2-oxo-2<i>H</i>-chromen-8-yl)-2-methylbutan-2- yl]propionamide
• Formula: C18 H23 N O4
• Calculated formula: C18 H23 N O4
• SMILES: CCC(=O)NC(CCc1c(OC)ccc2c1oc(=O)cc2)(C)C
• Title of publication: <i>N</i>-[4-(7-Methoxy-2-oxo-2<i>H</i>-chromen-8-yl)-2-methylbutan-2-yl]propionamide
• Authors of publication: Amirthasanjeevi, L.; Ravi Kumar, K.; Rajan, S. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2518
• a: 11.3555 ± 0.0011 Å
• b: 15.5452 ± 0.0015 Å
• c: 9.7642 ± 0.001 Å
• α: 90°
• β: 95.617 ± 0.002°
• γ: 90°
• Cell volume: 1715.3 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0518
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes