Information card for entry 2014543

Structure parameters

• Chemical name: N-(3-Methylpteridin-4-one-2-yl)glycine
• Formula: C9 H9 N5 O3
• Calculated formula: C9 H9 N5 O3
• SMILES: O=c1n(c(nc2nccnc12)NCC(=O)O)C
• Title of publication: <i>N</i>-(3-Methyl-4-oxo-3,4-dihydropteridin-2-yl)glycine: hydrogen-bonded sheets of <i>R</i>~4~^4^(22) and <i>R</i>~4~^4^(30) rings
• Authors of publication: Arranz Mascarós, Paloma; Gutiérrez Valero, M. Dolores; Low, John N.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: o795 - o797
• a: 9.6497 ± 0.0007 Å
• b: 12.1378 ± 0.0005 Å
• c: 16.5063 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1933.3 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1075
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes