Information card for entry 2224185

Structure parameters

• Common name: Cytosinium hydrogen maleate
• Chemical name: cytosinium‒hydrogen maleate‒cytosine (1/1/1)
• Formula: C12 H14 N6 O6
• Calculated formula: C12 H14 N6 O6
• SMILES: O=c1[nH+]ccc([nH]1)N.O=c1[nH]ccc(n1)N.O=C([O-])/C=C\C(=O)O
• Title of publication: Cytosinium‒hydrogen maleate‒cytosine (1/1/1)
• Authors of publication: Benali-Cherif, Nourredine; Falek, Wahiba; Direm, Amani
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3058 - o3059
• a: 27.3226 ± 0.0005 Å
• b: 7.3618 ± 0.0002 Å
• c: 14.6742 ± 0.0004 Å
• α: 90°
• β: 93.905 ± 0.001°
• γ: 90°
• Cell volume: 2944.77 ± 0.13 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0695
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes