Information card for entry 7227729

Structure parameters

• Common name: VA6
• Chemical name: N-(2-hydroxy-5-chlorophenyl)-2-propylpentanamide
• Formula: C14 H20 Cl N O2
• Calculated formula: C14 H20 Cl N O2
• SMILES: CCCC(CCC)C(=O)Nc1c(ccc(c1)Cl)O
• 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: 9.0054 ± 0.0004 Å
• b: 8.7908 ± 0.0004 Å
• c: 19.4618 ± 0.0009 Å
• α: 90°
• β: 102.377 ± 0.003°
• γ: 90°
• Cell volume: 1504.88 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 5
• 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: 0.0763
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.147
• Weighted residual factors for all reflections included in the refinement: 0.1633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No