Information card for entry 7227731

Structure parameters

• Common name: VA2
• Chemical name: N-(5-methyl-2-hydroxyphenyl)-2-propylpentanamide
• Formula: C15 H23 N O2
• Calculated formula: C15 H23 N O2
• SMILES: CCCC(CCC)C(=O)Nc1ccc(cc1O)C
• Title of publication: Novel valproic aminophenol amides with enhanced glial cell viability effect
• Authors of publication: Alpuche-García, Andrea; Dávila-González, Xochitl; Arregui, Leticia; Beltrán, Hiram I.
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 20
• Pages of publication: 12391
• a: 8.5924 ± 0.0017 Å
• b: 12.938 ± 0.003 Å
• c: 14.25 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1584.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0939
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No