Information card for entry 2210449

Structure parameters

• Chemical name: Benzyl 2-(5-methyl-2-pyridylaminocarbonyl)pyrrolidine-2-carboxylate
• Formula: C19 H21 N3 O3
• Calculated formula: C19 H21 N3 O3
• SMILES: O(Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)Nc1ncc(cc1)C
• Title of publication: Benzyl 2-(5-methyl-2-pyridylaminocarbonyl)pyrrolidine-2-carboxylate
• Authors of publication: Long He
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o3947 - o3948
• a: 9.2716 ± 0.0003 Å
• b: 11.4256 ± 0.0003 Å
• c: 16.422 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1739.64 ± 0.08 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.028
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes