Information card for entry 2013302

Structure parameters

• Chemical name: 2-(1H-pyrrol-2-yl)pyridine
• Formula: C9 H8 N2
• Calculated formula: C9 H8 N2
• SMILES: n1c(cccc1)c1[nH]ccc1
• Title of publication: Five (1<i>H</i>-pyrrol-2-yl)pyridines
• Authors of publication: Noland, Wayland E.; Cole, Kevin P.; Britton, Doyle
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 5
• Pages of publication: o263 - o267
• a: 8.123 ± 0.002 Å
• b: 8.123 ± 0.002 Å
• c: 23.502 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1550.7 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes