Information card for entry 2200888

Structure parameters

• Chemical name: m-carboxy phenyl ammonium nitrate
• Formula: C7 H8 N2 O5
• Calculated formula: C7 H8 N2 O5
• SMILES: OC(=O)c1cc([NH3+])ccc1.O=N(=O)[O-]
• Title of publication: <i>m</i>-Carboxyphenylammonium nitrate
• Authors of publication: Benali-Cherif, Noureddine; Cherouana, Aouatef; Bendjeddou, Lamia; Merazig, Hocine; Bendheif, Leulmi; Bouchouit, Karim
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 2
• Pages of publication: o156 - o157
• a: 31.838 ± 0.002 Å
• b: 5.208 ± 0.001 Å
• c: 11.117 ± 0.003 Å
• α: 90 ± 0.05°
• β: 108.06 ± 0.04°
• γ: 90 ± 0.05°
• Cell volume: 1752.5 ± 0.7 ų
• Cell temperature: 298 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes