Information card for entry 2239144

Structure parameters

• Chemical name: 4-Chloro-2-[(<i>E</i>)-(4-fluorophenyl)iminomethyl]phenol
• Formula: C13 H9 Cl F N O
• Calculated formula: C13 H9 Cl F N O
• SMILES: Fc1ccc(cc1)/N=C/c1cc(Cl)ccc1O
• Title of publication: 4-Chloro-2-[(<i>E</i>)-(4-fluorophenyl)iminomethyl]phenol
• Authors of publication: Feng, Tian-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 1
• Pages of publication: o42
• a: 4.514 ± 0.0009 Å
• b: 20.56 ± 0.004 Å
• c: 12.0712 ± 0.0019 Å
• α: 90°
• β: 94.153 ± 0.016°
• γ: 90°
• Cell volume: 1117.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1123
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes