Information card for entry 2012971

Structure parameters

• Common name: o-phenylenediamine phosphite
• Chemical name: 2-Aminoanilinium phosphite
• Formula: C6 H11 N2 O3 P
• Calculated formula: C6 H11 N2 O3 P
• SMILES: [PH](=O)(O)[O-].[NH3+]c1c(N)cccc1
• Title of publication: 2-Aminoanilinium phosphite
• Authors of publication: Abdallah Khaoulana Idrissi; Mohamed Saadi; Mohamed Rafiq; Elizabeth M. Holt
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 10
• Pages of publication: o604 - o605
• a: 11.212 ± 0.008 Å
• b: 5.992 ± 0.005 Å
• c: 13.204 ± 0.014 Å
• α: 90°
• β: 110.16 ± 0.03°
• γ: 90°
• Cell volume: 832.7 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1535
• Weighted residual factors for all reflections included in the refinement: 0.1668
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes