Information card for entry 2210105

Structure parameters

• Chemical name: N-(2,6-dimethylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
• Formula: C14 H18 N2 O2
• Calculated formula: C14 H18 N2 O2
• SMILES: O=C(Nc1c(C)cccc1C)CN1C(=O)CCC1
• Title of publication: <i>N</i>-(2,6-Dimethylphenyl)-2-(2-oxo-1-pyrrolidin-1-yl)acetamide
• Authors of publication: Wang, Pin-Liang; Wang, Hai-Bo; Ding, Wei-Lin; Liu, Zhi-Qian; Xing, Zhi-Tao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o3838 - o3839
• a: 6.339 ± 0.0013 Å
• b: 9.313 ± 0.0019 Å
• c: 22.712 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1340.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes