Information card for entry 2021156

Structure parameters

• Common name: cinnamaide derivatives
• Chemical name: (<i>R</i>,<i>S</i>)-(2<i>E</i>)-<i>N</i>-(1-Hydroxy-3-methyl-butan-2-yl)-3-phenylprop-2-enamide
• Formula: C14 H19 N O2
• Calculated formula: C14 H19 N O2
• Title of publication: Cinnamamide pharmacophore for anticonvulsant activity: evidence from crystallographic studies
• Authors of publication: Żesławska, Ewa; Nitek, Wojciech; Marona, Henryk; Gunia-Krzyżak, Agnieszka
• Journal of publication: Acta Crystallographica Section C Structural Chemistry
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 7
• a: 10.6921 ± 0.0002 Å
• b: 21.1761 ± 0.0004 Å
• c: 11.8518 ± 0.0002 Å
• α: 90°
• β: 94.198 ± 0.002°
• γ: 90°
• Cell volume: 2676.25 ± 0.08 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0588
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes