Information card for entry 2238424

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>-diethyl-2-(naphthalen-1-yloxy)propanamide
• Formula: C17 H21 N O2
• Calculated formula: C17 H21 N O2
• SMILES: CCN(C(=O)[C@@H](Oc1cccc2c1cccc2)C)CC
• Title of publication: Napropamide
• Authors of publication: Cho, Seonghwa; Kim, Jineun; Jeon, Youngeun; Kim, Tae Ho
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: o1207
• a: 9.8733 ± 0.0003 Å
• b: 10.771 ± 0.0004 Å
• c: 14.1044 ± 0.0005 Å
• α: 90°
• β: 97.943 ± 0.002°
• γ: 90°
• Cell volume: 1485.55 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes