Information card for entry 2013370

Structure parameters

• Chemical name: Ammonium N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycinate monohydrate
• Formula: C7 H14 N6 O5
• Calculated formula: C7 H14 N6 O5
• SMILES: N1C(=C(N=O)C(=O)N(C=1NCC(=O)[O-])C)N.O.[NH4+]
• Title of publication: Ammonium <i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycinate monohydrate forms hydrogen-bonded bilayers
• Authors of publication: Arranz Mascarós, Paloma; Cuesta Martos, Rafael; Glidewell, Christopher; Low, John N.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: o326 - o328
• a: 7.2451 ± 0.0001 Å
• b: 7.3772 ± 0.0002 Å
• c: 11.1339 ± 0.0003 Å
• α: 88.416 ± 0.001°
• β: 78.695 ± 0.001°
• γ: 70.527 ± 0.001°
• Cell volume: 549.71 ± 0.02 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.042
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes