Information card for entry 2221566

Structure parameters

• Chemical name: 3,5-Dimethoxy-2-[(4-propylphenyl)iminomethyl]phenol
• Formula: C18 H21 N O3
• Calculated formula: C18 H21 N O3
• SMILES: c1(c(cc(cc1O)OC)OC)/C=N/c1ccc(cc1)CCC
• Title of publication: 3,5-Dimethoxy-2-[(4-propylphenyl)iminomethyl]phenol
• Authors of publication: Şahin, Zarife Sibel; Ağar, Ayşen Alaman; Erşahin, Ferda; Işık, Şamil
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o718
• a: 15.1143 ± 0.0015 Å
• b: 7.2587 ± 0.0005 Å
• c: 17.737 ± 0.002 Å
• α: 90°
• β: 123.669 ± 0.007°
• γ: 90°
• Cell volume: 1619.5 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.1497
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 0.862
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes