Information card for entry 2210147

Structure parameters

• Common name: (Z)-6-[(2-Fluorophenylamino)methylene]-2,3-dihydroxycyclohexa-2,4-dienone
• Chemical name: (Z)-6-[(2-Fluorophenylininio)methylene]-2,3-dihydroxyphenolate
• Formula: C13 H10 F N O3
• Calculated formula: C13 H10 F N O3
• SMILES: [O-]c1c(ccc(O)c1O)\C=[NH+]/c1c(F)cccc1
• Title of publication: (<i>Z</i>)-6-[(2-Fluorophenyliminio)methylene]-2,3-dihydroxyphenolate
• Authors of publication: Petek, Hande; Albayrak, Çi̇ğdem; Ağar, Erbi̇l; Kalkan, Hüseyi̇n
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o3685 - o3687
• a: 11.5456 ± 0.0011 Å
• b: 6.8521 ± 0.0004 Å
• c: 14.0447 ± 0.0014 Å
• α: 90°
• β: 101.185 ± 0.008°
• γ: 90°
• Cell volume: 1089.99 ± 0.17 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• 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: 0.0892
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes