Information card for entry 2240847

Structure parameters

• Chemical name: (<i>E</i>)-1-{[(3,5-Dimethylphenyl)imino]methyl}naphthalen-2-ol
• Formula: C19 H17 N O
• Calculated formula: C19 H17 N O
• SMILES: Oc1c(c2ccccc2cc1)/C=N/c1cc(cc(c1)C)C
• Title of publication: Crystal structure of (<i>E</i>)-1-{[(3,5-dimethylphenyl)imino]methyl}naphthalen-2-ol
• Authors of publication: Abu-Dief, Ahmed M.; Abdelbaky, Mohammed S. M.; Garcia-Granda, Santiago
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 7
• Pages of publication: o496 - o497
• a: 6.2463 ± 0.0002 Å
• b: 10.2438 ± 0.0003 Å
• c: 23.0533 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1475.08 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes