Information card for entry 2020106

Structure parameters

• Chemical name: <i>N</i>-(2,2,6,6-Tetramethylpiperidin-4-yl)acrylamide monohydrate
• Formula: C12 H24 N2 O2
• Calculated formula: C12 H24 N2 O2
• SMILES: N1C(C)(C)CC(CC1(C)C)NC(=O)C=C.O
• Title of publication: Structure and packing of aminoxyl and piperidinyl acrylamide monomers
• Authors of publication: Goswami, Shailesh K.; Hanton, Lyall R.; McAdam, C. John; Moratti, Stephen C.; Simpson, Jim
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 10
• a: 11.9763 ± 0.0003 Å
• b: 10.3132 ± 0.0002 Å
• c: 11.855 ± 0.0003 Å
• α: 90°
• β: 114.527 ± 0.003°
• γ: 90°
• Cell volume: 1332.13 ± 0.06 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: 0.0727
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes