Information card for entry 2021374

Structure parameters

• Chemical name: 3-Aminoanilinium perchlorate
• Formula: C6 H9 Cl N2 O4
• Calculated formula: C6 H9 Cl N2 O4
• SMILES: Cl(=O)(=O)(=O)[O-].Nc1cc([NH3+])ccc1
• Title of publication: Charge-assisted hydrogen bonding in three diaminobenzene salts
• Authors of publication: Zick, Patricia L.; Geiger, David K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 12
• a: 5.7979 ± 0.0019 Å
• b: 9.866 ± 0.004 Å
• c: 15.421 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 882.1 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0316
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes