Information card for entry 2229460

Structure parameters

• Chemical name: 9-Aminoacridinium nitrate monohydrate
• Formula: C13 H13 N3 O4
• Calculated formula: C13 H13 N3 O4
• SMILES: c12ccccc1c(c1ccccc1[nH+]2)N.N(=O)(=O)[O-].O
• Title of publication: 9-Aminoacridinium nitrate monohydrate
• Authors of publication: Pourayoubi, Mehrdad; Eshtiagh-Hosseini, Hossein; Sanaei Ataabadi, Somayyeh; Mancilla Percino, Teresa; A. Leyva Ramírez, Marco
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o565
• a: 6.8556 ± 0.0002 Å
• b: 10.0532 ± 0.0002 Å
• c: 10.5912 ± 0.0003 Å
• α: 117.016 ± 0.001°
• β: 94.138 ± 0.001°
• γ: 97.995 ± 0.001°
• Cell volume: 636.36 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes