Information card for entry 2221000

Structure parameters

• Chemical name: 4-[2-(4-Fluorophenyl)-1<i>H</i>-pyrrol-3-yl]pyridine
• Formula: C15 H11 F N2
• Calculated formula: C15 H11 F N2
• SMILES: [nH]1c(c(cc1)c1ccncc1)c1ccc(cc1)F
• Title of publication: 4-[2-(4-Fluorophenyl)-1<i>H</i>-pyrrol-3-yl]pyridine
• Authors of publication: Abu Thaher, Bassam; Koch, Pierre; Schollmeyer, Dieter; Laufer, Stefan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o457
• a: 9.2966 ± 0.0007 Å
• b: 8.1966 ± 0.0005 Å
• c: 30.5738 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2329.7 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes