Information card for entry 2228229

Structure parameters

• Chemical name: 1-[(<i>E</i>)-(2-Methyl-3-nitrophenyl)iminomethyl]-2-naphthol
• Formula: C18 H14 N2 O3
• Calculated formula: C18 H14 N2 O3
• SMILES: c1(c(ccc2ccccc12)O)/C=N/c1c(c(ccc1)N(=O)=O)C
• Title of publication: 1-[(<i>E</i>)-(2-Methyl-3-nitrophenyl)iminomethyl]-2-naphthol
• Authors of publication: Bingöl Alpaslan, Yelda; Alaman Ağar, Ayşen; Işık, Şamil
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3052
• a: 12.552 ± 0.0009 Å
• b: 7.4731 ± 0.0004 Å
• c: 15.861 ± 0.0013 Å
• α: 90°
• β: 90.806 ± 0.006°
• γ: 90°
• Cell volume: 1487.65 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0791
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1394
• Weighted residual factors for all reflections included in the refinement: 0.1525
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes