Information card for entry 2017419

Structure parameters

• Common name: Cytosinium hydrogen sulfate
• Chemical name: Cytosinium hydrogen sulfate
• Formula: C4 H7 N3 O5 S
• Calculated formula: C4 H7 N3 O5 S
• SMILES: O=c1[nH+]ccc(N)[nH]1.S(=O)(=O)([O-])O
• Title of publication: Influence of anion substitution on hydrogen-bonding patterns of salt compounds: cytosinium hydrogen sulfate and cytosinium perchlorate
• Authors of publication: Bensegueni, Med Abdellatif; Cherouana, Aouatef; Bendjeddou, Lamia; Lecomte, Claude; Dahaoui, Slimane
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o607 - o611
• a: 14.676 ± 0.002 Å
• b: 7.435 ± 0.002 Å
• c: 7.574 ± 0.002 Å
• α: 90°
• β: 111.79 ± 0.02°
• γ: 90°
• Cell volume: 767.4 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes