Information card for entry 2242099

Structure parameters

• Chemical name: Hydrazinium 2-amino-4-nitrobenzoate dihydrate
• Formula: C7 H14 N4 O6
• Calculated formula: C7 H14 N4 O6
• SMILES: [O-]C(=O)c1c(N)cc(N(=O)=O)cc1.[NH3+]N.O.O
• Title of publication: Hydrazinium 2-amino-4-nitrobenzoate dihydrate: crystal structure and Hirshfeld surface analysis
• Authors of publication: Wardell, James L.; Jotani, Mukesh M.; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 4
• Pages of publication: 579 - 585
• a: 6.9695 ± 0.0002 Å
• b: 8.096 ± 0.0003 Å
• c: 10.5316 ± 0.0003 Å
• α: 76.468 ± 0.002°
• β: 73.251 ± 0.002°
• γ: 75.39 ± 0.002°
• Cell volume: 542.23 ± 0.03 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0459
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes