Information card for entry 2221677

Structure parameters

• Common name: Cytosinium dihydrogen phosphite
• Chemical name: Cytosinium dihydrogen phosphite
• Formula: C4 H8 N3 O4 P
• Calculated formula: C4 H8 N3 O4 P
• SMILES: O=C1[NH+]=CC=C(N1)N.P(=O)(O)[O-]
• Title of publication: Hydrogen bonding in cytosinium dihydrogen phosphite
• Authors of publication: Messai, Amel; Benali-Cherif, Nourredine; Jeanneau, Erwann; Luneau, Dominique
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o1147 - o1148
• a: 4.5625 ± 0.0003 Å
• b: 6.4739 ± 0.0004 Å
• c: 6.5933 ± 0.0006 Å
• α: 92.934 ± 0.004°
• β: 91.236 ± 0.004°
• γ: 98.627 ± 0.005°
• Cell volume: 192.21 ± 0.02 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes