Information card for entry 2020919

Structure parameters

• Chemical name: (2<i>E</i>)-1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-en-1-one
• Formula: C14 H17 N O2
• Calculated formula: C14 H17 N O2
• SMILES: OC1CCN(CC1)C(=O)/C=C/c1ccccc1
• Title of publication: Crystallographic studies of cinnamamide derivatives as a means of searching for anticonvulsant activity
• Authors of publication: Żesławska, Ewa; Nitek, Wojciech; Marona, Henryk; Gunia-Krzyżak, Agnieszka
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 11
• Pages of publication: 953 - 959
• a: 14.294 ± 0.0007 Å
• b: 11.448 ± 0.0006 Å
• c: 16.112 ± 0.0009 Å
• α: 90°
• β: 110.158 ± 0.003°
• γ: 90°
• Cell volume: 2475 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0833
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes