Information card for entry 2007914

Structure parameters

• Common name: Piromidic acid
• Chemical name: 8-Ethyl-5,8-dihydro-5-oxo-2-(-1-pyrrolidinyl)pyrido[2,3-d]pyrimidine-6- carboxylic acid
• Formula: C14 H16 N4 O3
• Calculated formula: C14 H16 N4 O3
• SMILES: n1(cc(c(=O)c2cnc(nc12)N1CCCC1)C(=O)O)CC
• Title of publication: The Antifungal Agent 8-Ethyl-5,8-dihydro-5-oxo-2-(1-pyrrolidinyl)pyrido[2,3-<i>d</i>]pyrimidine-6-carboxylic Acid (Piromidic Acid)
• Authors of publication: H. Song.; H. S. Shin; K. I. Park.; S. I. Cho
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 1915 - 1917
• a: 7.123 ± 0.001 Å
• b: 10.149 ± 0.001 Å
• c: 10.223 ± 0.002 Å
• α: 103.33 ± 0.01°
• β: 109.79 ± 0.02°
• γ: 92.43 ± 0.02°
• Cell volume: 670.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.109
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for all reflections: 0.144
• Weighted residual factors for significantly intense reflections: 0.109
• Goodness-of-fit parameter for all reflections: 1.056
• Goodness-of-fit parameter for significantly intense reflections: 1.116
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No