Information card for entry 2206734

Structure parameters

• Chemical name: (Z)-3-hydroxy-6-[(2-methoxyphenylamino)methylene]cyclohexa-2,4-dienone
• Formula: C14 H13 N O3
• Calculated formula: C14 H13 N O3
• SMILES: c1(c(cc(cc1)O)[O-])/C=[NH+]/c1c(cccc1)OC
• Title of publication: (Z)-3-Hydroxy-6-[(2-methoxyphenylamino)methylene]cyclohexa-2,4-dienone
• Authors of publication: S̨ahin, Onur; Albayrak, Çiǧdem; Odabas̨oğlu, Mustafa; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: o2859 - o2861
• a: 8.3391 ± 0.0007 Å
• b: 11.1748 ± 0.0015 Å
• c: 13.8056 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1286.5 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0987
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1707
• Weighted residual factors for all reflections included in the refinement: 0.1919
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes