Information card for entry 2229050

Structure parameters

• Chemical name: <i>N</i>-(4-Butanoyl-3-hydroxyphenyl)butanamide
• Formula: C14 H19 N O3
• Calculated formula: C14 H19 N O3
• SMILES: N(C(=O)CCC)c1cc(O)c(cc1)C(=O)CCC
• Title of publication: <i>N</i>-(4-Butanoyl-3-hydroxyphenyl)butanamide
• Authors of publication: Yang, Ming-Ming; Li, Fang-Shi; Lu, Qi-Sheng; Wang, Hao-Wei; Xie, Qing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o441
• a: 6.287 ± 0.0013 Å
• b: 10.008 ± 0.002 Å
• c: 21.68 ± 0.004 Å
• α: 90°
• β: 97.96 ± 0.03°
• γ: 90°
• Cell volume: 1351 ± 0.5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0768
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes