Information card for entry 2217913

Structure parameters

• Chemical name: 2,4-Dinitrobenzaldehyde hydrazone
• Formula: C7 H6 N4 O4
• Calculated formula: C7 H6 N4 O4
• SMILES: O=N(=O)c1c(/C=N/N)ccc(N(=O)=O)c1
• Title of publication: 2,4-Dinitrobenzaldehyde hydrazone
• Authors of publication: Zhang, Nan; Wang, Ruji; Tan, Chunyan; Jiang, Yuyang; Zhao, Yufen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: o745
• a: 4.5839 ± 0.0007 Å
• b: 9.684 ± 0.0016 Å
• c: 9.9287 ± 0.0015 Å
• α: 90.785 ± 0.012°
• β: 96.149 ± 0.011°
• γ: 98.955 ± 0.013°
• Cell volume: 432.66 ± 0.12 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.068
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes