Information card for entry 7227730

Structure parameters

• Common name: VA2
• Chemical name: N-(4-methyl-2-hydroxyphenyl)-2-propylpentanamide
• Formula: C15 H23 N O2
• Calculated formula: C15 H23 N O2
• SMILES: Cc1ccc(c(c1)NC(=O)C(CCC)CCC)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: 8.9236 ± 0.0005 Å
• b: 8.7861 ± 0.0004 Å
• c: 19.7125 ± 0.001 Å
• α: 90°
• β: 102.535 ± 0.003°
• γ: 90°
• Cell volume: 1508.69 ± 0.13 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: 0.149
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1371
• Weighted residual factors for all reflections included in the refinement: 0.169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No