Information card for entry 2208843

Structure parameters

• Common name: 5-Bromo-2-(hydroxymethyl)pyridine
• Chemical name: 5-Bromo-2-(hydroxymethyl)pyridine
• Formula: C6 H6 Br N O
• Calculated formula: C6 H6 Br N O
• SMILES: Brc1cnc(cc1)CO
• Title of publication: 5-Bromo-2-(hydroxymethyl)pyridine
• Authors of publication: Ya-Ming Wu; Chang-Chuan Dong; Shan Liu; Hong-Jun Zhu; Yi-Zu Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o2102 - o2103
• a: 4.039 ± 0.001 Å
• b: 8.974 ± 0.002 Å
• c: 9.224 ± 0.002 Å
• α: 90°
• β: 93.09 ± 0.03°
• γ: 90°
• Cell volume: 333.85 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1318
• Weighted residual factors for all reflections included in the refinement: 0.1423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes