Information card for entry 2221258

Structure parameters

• Common name: o-Carboxyanilinium hydrogephosphite
• Chemical name: 2-carboxyanilinium dihydrogen phosphite
• Formula: C7 H10 N O5 P
• Calculated formula: C7 H10 N O5 P
• SMILES: OC(=O)c1c([NH3+])cccc1.P(=O)([O-])O
• Title of publication: Hydrogen bonding in 2-carboxyanilinium dihydrogen phosphite at 100K
• Authors of publication: Benali-Cherif, Nourredine; Allouche, Fatima; Direm, Amani; Soudani, Kawther
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o664 - o665
• a: 4.8757 ± 0.0006 Å
• b: 9.4597 ± 0.0006 Å
• c: 10.0801 ± 0.0005 Å
• α: 78.929 ± 0.003°
• β: 76.058 ± 0.004°
• γ: 86.814 ± 0.002°
• Cell volume: 442.81 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes