Information card for entry 2214948

Structure parameters

• Chemical name: 2-Hydroxy-3,5-dinitrobenzamide monohydrate
• Formula: C7 H7 N3 O7
• Title of publication: 2-Hydroxy-3,5-dinitrobenzamide monohydrate
• Authors of publication: Liu, T.; Zhu, J. Y.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3830
• a: 25.4442 ± 0.0014 Å
• b: 6.663 ± 0.003 Å
• c: 12.486 ± 0.002 Å
• α: 90°
• β: 111.882 ± 0.007°
• γ: 90°
• Cell volume: 1964.3 ± 0.9 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0931
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: No
• Has disorder: No
• Has Fobs: Yes