Information card for entry 2207028

Structure parameters

• Chemical name: 2-Hydroxy-6-[(1-napthylamino)methylene]cyclohexa-2,4-dien-1-one
• Formula: C17 H13 N O2
• Calculated formula: C17 H13 N O2
• SMILES: C(Nc1cccc2ccccc12)=C1C(C(=CC=C1)O)=O
• Title of publication: 2-Hydroxy-6-[(1-napthylamino)methylene]cyclohexa-2,4-dien-1-one
• Authors of publication: Özek, Arzu; Yüce, Süheyla; Albayrak, Çiğdem; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3179 - o3181
• a: 7.3546 ± 0.0005 Å
• b: 23.7901 ± 0.0017 Å
• c: 7.4919 ± 0.0005 Å
• α: 90°
• β: 108.738 ± 0.006°
• γ: 90°
• Cell volume: 1241.36 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0758
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes