Information card for entry 2213496

Structure parameters

• Chemical name: Ethyl 6-(hydroxymethyl)picolinate
• Formula: C9 H11 N O3
• Calculated formula: C9 H11 N O3
• SMILES: CCOC(=O)c1cccc(n1)CO
• Title of publication: Ethyl 6-(hydroxymethyl)picolinate
• Authors of publication: Jian-Ying Huang; Hong-Ze Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2584 - o2585
• a: 6.8871 ± 0.0014 Å
• b: 9.0494 ± 0.0018 Å
• c: 15.25 ± 0.004 Å
• α: 90°
• β: 106.86 ± 0.03°
• γ: 90°
• Cell volume: 909.6 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0898
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.1528
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes