Information card for entry 2210141

Structure parameters

• Common name: 4-[5-(4-fluorophenyl)-3-isopropylisoxazol-4-yl]pyridine
• Chemical name: 4-[5-(4-Fluorophenyl)-3-isopropylisoxazol-4-yl]pyridine
• Formula: C17 H15 F N2 O
• Calculated formula: C17 H15 F N2 O
• SMILES: Fc1ccc(c2onc(c2c2ccncc2)C(C)C)cc1
• Title of publication: 4-[5-(4-Fluorophenyl)-3-isopropylisoxazol-4-yl]pyridine
• Authors of publication: Christian Peifer; Mohammed Abadleh; Schollmeyer, Dieter; Stefan Laufer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o3647 - o3649
• a: 14.1426 ± 0.001 Å
• b: 11.8646 ± 0.0009 Å
• c: 17.8516 ± 0.0013 Å
• α: 90°
• β: 105.475 ± 0.004°
• γ: 90°
• Cell volume: 2886.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1026
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 0.886
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes