Information card for entry 2226586

Structure parameters

• Chemical name: <i>rac</i>-<i>N</i>-[Hydroxy(4-pyridyl)methyl]picolinamide
• Formula: C12 H11 N3 O2
• Calculated formula: C12 H11 N3 O2
• SMILES: O=C(NC(O)c1ccncc1)c1ncccc1
• Title of publication: <i>rac</i>-<i>N</i>-[Hydroxy(4-pyridyl)methyl]picolinamide: a hemiamidal
• Authors of publication: Altaf, Muhammad; Stoeckli-Evans, Helen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1640
• a: 12.145 ± 0.0013 Å
• b: 5.6044 ± 0.0004 Å
• c: 16.394 ± 0.0019 Å
• α: 90°
• β: 111.354 ± 0.009°
• γ: 90°
• Cell volume: 1039.26 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0592
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1111
• 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