Information card for entry 2223048

Structure parameters

• Common name: DL-asparaginium nitrate
• Chemical name: (1<i>RS</i>)-2-carbamoyl-1-carboxyethanaminium nitrate
• Formula: C4 H9 N3 O6
• Calculated formula: C4 H9 N3 O6
• SMILES: OC(=O)C([NH3+])CC(=O)N.O=N(=O)[O-]
• Title of publication: <small>DL</small>-Asparaginium nitrate
• Authors of publication: Moussa Slimane, Nabila; Cherouana, Aouatef; Bendjeddou, Lamia; Dahaoui, Slimane; Lecomte, Claude
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2180 - o2181
• a: 7.923 ± 0.002 Å
• b: 9.608 ± 0.002 Å
• c: 10.613 ± 0.003 Å
• α: 90°
• β: 107.105 ± 0.002°
• γ: 90°
• Cell volume: 772.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0467
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes