Information card for entry 2233140

Structure parameters

• Chemical name: 4-[(<i>E</i>)-(4-Fluorobenzylidene)amino]benzoic acid
• Formula: C14 H10 F N O2
• Calculated formula: C14 H10 F N O2
• SMILES: c1cc(ccc1/C=N/c1ccc(cc1)C(=O)O)F
• Title of publication: 4-[(<i>E</i>)-(4-Fluorobenzylidene)amino]benzoic acid
• Authors of publication: Muñoz-Flores, Blanca M.; Pérez, Víctor M. Jiménez; Santillan, Rosa L.; Ochoa, Maria Eugenia; Waksman, Noemi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o175
• a: 12.2787 ± 0.0005 Å
• b: 5.6264 ± 0.0002 Å
• c: 17.2874 ± 0.0008 Å
• α: 90°
• β: 105.833 ± 0.002°
• γ: 90°
• Cell volume: 1148.99 ± 0.08 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: 0.1171
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.154
• Weighted residual factors for all reflections included in the refinement: 0.1909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes