Information card for entry 2014475

Structure parameters

• Formula: C8 H9 N O6
• Calculated formula: C8 H9 N O6
• SMILES: Oc1cc[nH+]cc1.OC(C(=O)O)C(=O)[O-]
• Title of publication: 2-Pyridone‒tartronic acid (1/1), 3-hydroxypyridinium hydrogen tartronate and 4-hydroxypyridinium hydrogen tartronate
• Authors of publication: Fukunaga, Takeo; Kashino, Setsuo; Ishida, Hiroyuki
• Journal of publication: Acta Crystallographica, Section C: Crystal Structure Communications
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: o717 - o722
• a: 4.0607 ± 0.0013 Å
• b: 13.144 ± 0.003 Å
• c: 8.696 ± 0.002 Å
• α: 90°
• β: 101.99 ± 0.02°
• γ: 90°
• Cell volume: 454 ± 0.2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No