Information card for entry 2013512

Structure parameters

• Chemical name: 1-(2-Naphthyloxymethylcarbonyl)-4-methylpiperazine
• Formula: C17 H20 N2 O2
• Calculated formula: C17 H20 N2 O2
• SMILES: O(c1cc2ccccc2cc1)CC(=O)N1CCN(CC1)C
• Title of publication: 2-(2-Naphthyloxy)acetate derivatives. II. A new class of antiamnesic agents
• Authors of publication: Thamotharan, S.; Parthasarathi, V.; Gupta, P.; 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: o467 - o469
• a: 13.756 ± 0.0003 Å
• b: 12.7389 ± 0.0002 Å
• c: 8.5031 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1490.05 ± 0.05 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0532
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes