Information card for entry 2239120

Structure parameters

• Chemical name: 2,6-Bis(bromomethyl)pyridine
• Formula: C7 H7 Br2 N
• Calculated formula: C7 H7 Br2 N
• SMILES: BrCc1cccc(n1)CBr
• Title of publication: 2,6-Bis(bromomethyl)pyridine
• Authors of publication: Cuzan, Olesea; Straistari, Tatiana; Turta, Constantin; Réglier, Marius
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 1
• Pages of publication: o4
• a: 9.2955 ± 0.0019 Å
• b: 12.98 ± 0.003 Å
• c: 7.5288 ± 0.0015 Å
• α: 90°
• β: 110.75 ± 0.03°
• γ: 90°
• Cell volume: 849.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes