Information card for entry 2203963

Structure parameters

• Chemical name: 1-[(5-Chloro-2-hydroxy-phenylamino)methylene]-1H-naphthalen-2-one
• Formula: C17 H12 Cl N O2
• Calculated formula: C17 H12 Cl N O2
• SMILES: c1(c(ccc2ccccc12)[O-])/C=[NH+]\c1c(ccc(c1)Cl)O
• Title of publication: 1-[(5-Chloro-2-hydroxyphenylamino)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: 7
• Pages of publication: o1162 - o1164
• a: 7.293 ± 0.005 Å
• b: 7.865 ± 0.005 Å
• c: 13.628 ± 0.005 Å
• α: 88.973 ± 0.005°
• β: 74.668 ± 0.005°
• γ: 63.876 ± 0.005°
• Cell volume: 672.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1472
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes