Information card for entry 2231617

Structure parameters

• Chemical name: 2-[(Naphthalen-1-ylmethylidene)amino]-5-methylphenol
• Formula: C18 H15 N O
• Calculated formula: C18 H15 N O
• SMILES: Oc1c(/N=C/c2cccc3ccccc23)ccc(c1)C
• Title of publication: 2-[(Naphthalen-1-ylmethylidene)amino]-5-methylphenol
• Authors of publication: Orona, Gabriella; Molinar, Vanessa; Fronczek, Frank R.; Isovitsch, Ralph
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2505 - o2506
• a: 4.8246 ± 0.001 Å
• b: 9.766 ± 0.002 Å
• c: 28.024 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1320.4 ± 0.5 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 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: 0.067
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes