Information card for entry 2016794

Structure parameters

• Common name: cytosinium succinate
• Chemical name: 4-amino-2-oxo-2,3-dihydropyrimidin-1-ium 3-carboxypropanoate
• Formula: C8 H11 N3 O5
• Calculated formula: C8 H11 N3 O5
• SMILES: c1(=O)[nH+]ccc([nH]1)N.C(=O)(CCC(=O)O)[O-]
• Title of publication: Supramolecular hydrogen-bonded networks in cytosinium succinate and cytosinium 4-nitrobenzoate cytosine monohydrate
• Authors of publication: Sridhar, Balasubramanian; Ravikumar, Krishnan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o566 - o569
• a: 15.666 ± 0.003 Å
• b: 6.6959 ± 0.0009 Å
• c: 18.726 ± 0.003 Å
• α: 90°
• β: 100.48 ± 0.004°
• γ: 90°
• Cell volume: 1931.6 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes