Information card for entry 7215721

Structure parameters

• Common name: 2-Methoxy-6-(Naphthalene-1-yliminomethyl)-phenol
• Chemical name: 2-Methoxy-6-(Naphthalene-1-yliminomethyl)-phenol
• Formula: C18 H15 N O2
• Calculated formula: C18 H15 N O2
• SMILES: Oc1c(cccc1OC)/C=N/c1cccc2ccccc12
• Title of publication: Ex situ and in situ monitoring of the syntheses of thermochromic Schiff bases
• Authors of publication: Zbačnik, M.; Kaitner, B.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 20
• Pages of publication: 4162
• a: 12.2742 ± 0.0003 Å
• b: 15.2924 ± 0.0004 Å
• c: 16.6009 ± 0.0005 Å
• α: 69.246 ± 0.003°
• β: 80.702 ± 0.002°
• γ: 70.336 ± 0.002°
• Cell volume: 2740.72 ± 0.14 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.08
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 0.826
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No