Information card for entry 2227247

Structure parameters

• Chemical name: 1-(2-Azidoacetyl)-3-methyl-2,6-diphenylpiperidin-4-one
• Formula: C20 H20 N4 O2
• Calculated formula: C20 H20 N4 O2
• SMILES: [C@H]1(CC(=O)[C@H]([C@H](c2ccccc2)N1C(=O)CN=N#N)C)c1ccccc1.[C@@H]1(CC(=O)[C@@H]([C@@H](c2ccccc2)N1C(=O)CN=N#N)C)c1ccccc1
• Title of publication: 1-(2-Azidoacetyl)-3-methyl-2,6-diphenylpiperidin-4-one
• Authors of publication: Yuvaraj, Haldorai; Sundaramoorthy, S.; Velmurugan, D.; Kalkhambkar, Rajesh G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2733
• a: 11.0418 ± 0.0003 Å
• b: 15.7844 ± 0.0005 Å
• c: 10.5684 ± 0.0003 Å
• α: 90°
• β: 108.458 ± 0.002°
• γ: 90°
• Cell volume: 1747.19 ± 0.09 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0644
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1254
• Weighted residual factors for all reflections included in the refinement: 0.1383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes