Information card for entry 2235270

Structure parameters

• Chemical name: 4-Methyl-<i>N</i>-(9-methyl-9-azabicyclo[3.3.1]non-3-yl)benzamide
• Formula: C17 H24 N2 O
• Calculated formula: C17 H24 N2 O
• SMILES: N1([C@H]2CC(NC(=O)c3ccc(cc3)C)C[C@@H]1CCC2)C
• Title of publication: 4-Methyl-<i>N</i>-(9-methyl-9-azabicyclo[3.3.1]non-3-yl)benzamide
• Authors of publication: Lv, Diya; Cao, Yan; Dong, Xin; Lou, Ziyang; Chai, Yifeng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1781
• a: 38.68 ± 0.02 Å
• b: 12.3 ± 0.007 Å
• c: 9.975 ± 0.005 Å
• α: 90°
• β: 101.263 ± 0.007°
• γ: 90°
• Cell volume: 4654 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0841
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes