Information card for entry 2013509

Structure parameters

• Chemical name: N-(2-naphthyloxymethylcarbonyl)piperidine
• Formula: C17 H19 N O2
• Calculated formula: C17 H19 N O2
• SMILES: O(c1cc2ccccc2cc1)CC(=O)N1CCCCC1
• Title of publication: 2-(2-Naphthyloxy)acetate derivatives. I. A new class of antiamnesic agents
• Authors of publication: Thamotharan, S.; Parthasarathi, V.; Malik, R.; Jindal, D. P.; Piplani, P.; Linden, Anthony
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 8
• Pages of publication: o422 - o425
• a: 9.8769 ± 0.0001 Å
• b: 24.8789 ± 0.0003 Å
• c: 5.7335 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1408.87 ± 0.03 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes