Information card for entry 2243410

Structure parameters

• Common name: 4-Bromoanilinium nitrate
• Chemical name: <i>p</i>-Bromoanilinium nitrate
• Formula: C6 H7 Br N2 O3
• Calculated formula: C6 H7 Br N2 O3
• SMILES: [NH3+]c1ccc(cc1)Br.N(=O)(=O)[O-]
• Title of publication: Crystal structure and Hirshfeld surface analysis of 4-bromoanilinium nitrate
• Authors of publication: Anbarasan, Radhakrishnan; Eniya, Palaniyasan; Kalyana Sundar, Jeyaperumal; Mengesha Woldemariam, Menberu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 6
• Pages of publication: 973 - 976
• a: 9.7123 ± 0.0008 Å
• b: 23.4964 ± 0.0019 Å
• c: 7.6264 ± 0.0006 Å
• α: 90°
• β: 97.052 ± 0.004°
• γ: 90°
• Cell volume: 1727.2 ± 0.2 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: 0.1304
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.1828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No