Information card for entry 2205911

Structure parameters

• Chemical name: 2-Hydroxy-6-[(2-methoxyphenyl)aminomethylene]cyclohexa-2,4-dienone
• Formula: C14 H13 N O3
• Calculated formula: C14 H13 N O3
• SMILES: c1(ccccc1OC)/[NH+]=C\c1c(c(ccc1)O)[O-]
• Title of publication: 2-Hydroxy-6-[(2-methoxyphenyl)aminomethylene]cyclohexa-2,4-dienone
• Authors of publication: Şahin, Onur; Büyükgüngör, Orhan; Albayrak, Çiğdem; Odabaşoğlu, Mustafa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: o1579 - o1581
• a: 7.5517 ± 0.0007 Å
• b: 11.3022 ± 0.0012 Å
• c: 13.4646 ± 0.0013 Å
• α: 90°
• β: 95.186 ± 0.008°
• γ: 90°
• Cell volume: 1144.5 ± 0.2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 0.846
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes