Information card for entry 2203591

Structure parameters

• Chemical name: 1-[(2-Hydroxy-5-methylphenylamino)methylene]naphthalen-2(1H)-one
• Formula: C18 H15 N O2
• Calculated formula: C18 H15 N O2
• SMILES: c1(c(ccc2ccccc12)[O-])\C=[NH+]/c1cc(ccc1O)C
• Title of publication: 1-[(2-Hydroxy-5-methylphenylamino)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: 5
• Pages of publication: o828 - o830
• a: 7.126 ± 0.001 Å
• b: 7.898 ± 0.001 Å
• c: 13.684 ± 0.002 Å
• α: 77.698 ± 0.009°
• β: 85.43 ± 0.01°
• γ: 65.21 ± 0.009°
• Cell volume: 683.09 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1041
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 0.878
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes