Information card for entry 7216987

Structure parameters

• Chemical name: N-(3-hydroxypyridine)-N'-(2-methoxyphenyl)oxamide
• Formula: C14 H15 N3 O5
• Calculated formula: C14 H15 N3 O5
• SMILES: N(c1ncccc1O)C(=O)C(=O)Nc1c(OC)cccc1.O
• Title of publication: Further insight into three center hydrogen bonding. Participation in tautomeric equilibria of heterocyclic amides
• Authors of publication: Padilla-Martínez, Itzia I.; Martínez-Martínez, Francisco J.; García-Báez, Efrén V.; Torres-Valencia, J. Martín; Rojas-Lima, Susana; Höpfl, Herbert
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 2001
• Journal issue: 9
• Pages of publication: 1817
• a: 12.825 ± 0.003 Å
• b: 15.11 ± 0.003 Å
• c: 7.341 ± 0.001 Å
• α: 90°
• β: 101.02 ± 0.03°
• γ: 90°
• Cell volume: 1396.3 ± 0.5 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: 0.0756
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for all reflections: 0.1248
• Weighted residual factors for significantly intense reflections: 0.1118
• Goodness-of-fit parameter for all reflections: 1.014
• Goodness-of-fit parameter for significantly intense reflections: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No