Information card for entry 2005520

Structure parameters

• Chemical name: N-(n-propyl)-2-oxy-1-naphthaldimine
• Formula: C14 H15 N O
• Calculated formula: C14 H15 N O
• SMILES: CCCN/C=C1\C(=O)C=Cc2c1cccc2
• Title of publication: A Reinvestigation of the Quinoidal Effect in <i>N</i>-<i>n</i>-Propyl-2-oxo-1-naphthylidenemethylamine
• Authors of publication: Kaitner, B.; Pavlovic, G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 10
• Pages of publication: 2573 - 2575
• a: 10.1646 ± 0.0007 Å
• b: 8.8048 ± 0.0006 Å
• c: 13.157 ± 0.001 Å
• α: 90°
• β: 96.327 ± 0.006°
• γ: 90°
• Cell volume: 1170.34 ± 0.14 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.058
• Goodness-of-fit parameter for significantly intense reflections: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No