Information card for entry 2222025

Structure parameters

• Chemical name: 4-Fluoro-2-[(<i>E</i>)-2-pyridyliminomethyl]phenol
• Formula: C12 H9 F N2 O
• Calculated formula: C12 H9 F N2 O
• SMILES: c1(c(ccc(c1)F)O)/C=N/c1ccccn1
• Title of publication: 4-Fluoro-2-[(<i>E</i>)-2-pyridyliminomethyl]phenol
• Authors of publication: Cui, Ping; Shi, Lei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1282
• a: 13.1635 ± 0.0011 Å
• b: 6.2252 ± 0.0006 Å
• c: 13.8235 ± 0.0017 Å
• α: 90°
• β: 113.33 ± 0.03°
• γ: 90°
• Cell volume: 1040.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0853
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes