Information card for entry 2203330

Structure parameters

• Chemical name: 1-[(3-Hydroxypyridin-2-ylamino)methylene]naphthalen-2(1H)-one
• Formula: C16 H12 N2 O2
• Calculated formula: C16 H12 N2 O2
• SMILES: C1(C(=O)C=Cc2ccccc12)=CNc1c(cccn1)O
• Title of publication: 1-[(3-Hydroxypyridin-2-ylamino)methylene]naphthalen-2(1<i>H</i>)-one
• Authors of publication: Özek, Arzu; Yüce, Süheyla; Albayrak, Çiǧdem; Odabaşoǧlu, Mustafa; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 3
• Pages of publication: o356 - o358
• a: 8.8268 ± 0.0014 Å
• b: 5.9191 ± 0.0006 Å
• c: 12.167 ± 0.0019 Å
• α: 90°
• β: 90.277 ± 0.013°
• γ: 90°
• Cell volume: 635.68 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes