Information card for entry 7122488

Structure parameters

• Chemical name: R,S-2-(2,6-dimethylphenoxy)-N-(2-hydroxybutyl)acetamide
• Formula: C14 H20 N O3
• Calculated formula: C14 H21 N O3
• Title of publication: Synthesis and anticonvulsant activity of phenoxyacetyl derivatives of amines, including aminoalkanols and amino acids.
• Authors of publication: Pańczyk, Katarzyna; Żelaszczyk, Dorota; Koczurkiewicz, Paulina; Słoczyńska, Karolina; Pękala, Elżbieta; Żesławska, Ewa; Nitek, Wojciech; Żmudzki, Paweł; Marona, Henryk; Waszkielewicz, Anna
• Journal of publication: MedChemComm
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 11
• Pages of publication: 1933 - 1948
• a: 21.431 ± 0.0013 Å
• b: 8.483 ± 0.0018 Å
• c: 7.516 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1366.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1133
• Residual factor for significantly intense reflections: 0.0851
• Weighted residual factors for significantly intense reflections: 0.1979
• Weighted residual factors for all reflections included in the refinement: 0.215
• Goodness-of-fit parameter for significantly intense reflections: 3.032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No