Information card for entry 7215722

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: 12.3034 ± 0.0004 Å
• b: 15.406 ± 0.0005 Å
• c: 16.9536 ± 0.0004 Å
• α: 69.62 ± 0.002°
• β: 80.598 ± 0.002°
• γ: 70.17 ± 0.003°
• Cell volume: 2829.99 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0489
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No