Information card for entry 2009809

Structure parameters

• Formula: C15 H17 N O2
• Calculated formula: C15 H17 N O2
• SMILES: c1(cccc2ccc(cc12)OC)CCNC(=O)C
• Title of publication: <i>N</i>-[2-(7-Methoxy-1-naphthyl)ethyl]acetamide, a potent melatonin analog
• Authors of publication: Tinant, Bernard; Declercq, Jean-Paul; Poupaert, Jacques H.; Yous, Said; Lesieur, Daniel
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 6
• Pages of publication: 907 - 910
• a: 31.501 ± 0.004 Å
• b: 9.528 ± 0.001 Å
• c: 17.906 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5374.3 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1087
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections: 0.1446
• Weighted residual factors for significantly intense reflections: 0.1251
• Goodness-of-fit parameter for all reflections: 0.89
• Goodness-of-fit parameter for significantly intense reflections: 1.165
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No