Information card for entry 2016805

Structure parameters

• Chemical name: 3-acetylanilinium nitrate
• Formula: C8 H10 N2 O4
• Calculated formula: C8 H10 N2 O4
• Title of publication: 3-Acetylanilinium bromide, nitrate and dihydrogen phosphate: hydrogen-bonding motifs in one, two and three dimensions
• Authors of publication: Cinčić, Dominik; Kaitner, Branko
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o561 - o565
• a: 16.7754 ± 0.0004 Å
• b: 6.6044 ± 0.0002 Å
• c: 8.2683 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 916.06 ± 0.04 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes