Information card for entry 7215725

Structure parameters

• Common name: 2-(benzhydrylimino-methyl)-6-methoxy-phenol
• Chemical name: 2-(benzhydrylimino-methyl)-6-methoxy-phenol
• Formula: C21 H19 N O2
• Calculated formula: C21 H19 N O2
• SMILES: Oc1c(cccc1OC)/C=N/C(c1ccccc1)c1ccccc1
• 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: 11.6407 ± 0.0008 Å
• b: 12.0666 ± 0.0009 Å
• c: 12.0964 ± 0.0008 Å
• α: 90°
• β: 91.535 ± 0.007°
• γ: 90°
• Cell volume: 1698.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No