Information card for entry 4508709

Structure parameters

• Common name: 3-amino-2-chloropyridine
• Chemical name: 3-amino-2-chloropyridine
• Formula: C5 H5 Cl N2
• Calculated formula: C5 H5 Cl N2
• SMILES: Clc1ncccc1N
• 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: 6.446 ± 0.005 Å
• b: 8.022 ± 0.006 Å
• c: 11.991 ± 0.008 Å
• α: 90°
• β: 104.51 ± 0.011°
• γ: 90°
• Cell volume: 600.3 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No