Information card for entry 2203643

Structure parameters

• Chemical name: 1,4-dimethyl-1,5,6,7-tetrahydro-2H-cyclopenta[b]pyridin-2-one
• Formula: C10 H13 N O
• Calculated formula: C10 H13 N O
• SMILES: n1(c(=O)cc(c2CCCc12)C)C
• Title of publication: 1,4-Dimethyl-1,5,6,7-tetrahydro-2<i>H</i>-cyclopenta[<i>b</i>]pyridin-2-one
• Authors of publication: Dmitry V. Albov; Victor B. Rybakov; Eugene V. Babaev; Leonid A. Aslanov
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: o922 - o923
• a: 9.7125 ± 0.0015 Å
• b: 6.8262 ± 0.0016 Å
• c: 15.285 ± 0.003 Å
• α: 90°
• β: 121.233 ± 0.011°
• γ: 90°
• Cell volume: 866.5 ± 0.3 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: 0.0471
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 0.87
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No