Information card for entry 2015695

Structure parameters

• Common name: 2-methoxy-3-pyridylboronic acid
• Chemical name: (2-Methoxy-3-pyridyl)boronic acid
• Formula: C6 H8 B N O3
• Calculated formula: C6 H8 B N O3
• SMILES: O(c1ncccc1B(O)O)C
• Title of publication: (2-Methoxy-3-pyridyl)boronic acid
• Authors of publication: Dabrowski, Marek; Lulinski, Sergiusz; Serwatowski, Janusz; Szczerbinska, Magdalena
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o702 - o704
• a: 7.6342 ± 0.0003 Å
• b: 25.7404 ± 0.001 Å
• c: 7.2444 ± 0.0003 Å
• α: 90°
• β: 100.857 ± 0.003°
• γ: 90°
• Cell volume: 1398.1 ± 0.1 ų
• Cell temperature: 102 ± 2 K
• Ambient diffraction temperature: 102 ± 2 K
• Number of distinct elements: 5
• 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: 0.0349
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes