Information card for entry 2226758

Structure parameters

• Chemical name: Methyl 4-(piperidin-1-ylcarbonyl)benzoate
• Formula: C14 H17 N O3
• Calculated formula: C14 H17 N O3
• SMILES: O(C(=O)c1ccc(cc1)C(=O)N1CCCCC1)C
• Title of publication: Methyl 4-(piperidin-1-ylcarbonyl)benzoate
• Authors of publication: Ávila, R. M. D.; Landre, I. M. R.; Souza, T. E.; Veloso, M. P.; Doriguetto, A. C
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1630
• a: 5.879 ± 0.005 Å
• b: 9.693 ± 0.005 Å
• c: 12.19 ± 0.005 Å
• α: 69.684 ± 0.005°
• β: 82.535 ± 0.005°
• γ: 77.502 ± 0.005°
• Cell volume: 634.9 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes