Information card for entry 2008754

Structure parameters

• Chemical name: 4-Iodopyridine
• Formula: C5 H4 I N
• Calculated formula: C5 H4 I N
• SMILES: Ic1ccncc1
• Title of publication: 4-Iodopyridine, a structure with very short nitrogen‒iodine contacts
• Authors of publication: Ahrens, Birte; Jones, Peter G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 8
• Pages of publication: 1308 - 1310
• a: 10.39 ± 0.002 Å
• b: 14.394 ± 0.003 Å
• c: 7.884 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1179.1 ± 0.4 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0181
• Residual factor for significantly intense reflections: 0.0154
• Weighted residual factors for all reflections included in the refinement: 0.0343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes