Information card for entry 4508718

Structure parameters

• Common name: 3-amino-2-bromopyridine
• Chemical name: 3-amino-2-bromopyridine
• Formula: C5 H5 Br N2
• Calculated formula: C5 H5 Br N2
• SMILES: Brc1ncccc1N
• Title of publication: Using Halogen···Halogen Interactions to Direct Noncentrosymmetric Crystal Packing in Dipolar Organic Molecules
• Authors of publication: Saha, Binoy K.; Nangia, Ashwini; Nicoud, Jean-François
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 6
• Pages of publication: 1278
• a: 7.9689 ± 0.0005 Å
• b: 13.1908 ± 0.0008 Å
• c: 11.6096 ± 0.0007 Å
• α: 90°
• β: 104.686 ± 0.001°
• γ: 90°
• Cell volume: 1180.49 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0254
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections included in the refinement: 0.0588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No