Information card for entry 2233984

Structure parameters

• Chemical name: (<i>E</i>)-3-Nitro-<i>N</i>'-(3-nitrobenzylidene)benzohydrazide
• Formula: C14 H10 N4 O5
• Calculated formula: C14 H10 N4 O5
• SMILES: N(=O)(=O)c1cc(ccc1)/C=N/NC(=O)c1cc(N(=O)=O)ccc1
• Title of publication: (<i>E</i>)-3-Nitro-<i>N</i>'-(3-nitrobenzylidene)benzohydrazide
• Authors of publication: Li, Xiao-Yan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o696
• a: 11.99 ± 0.002 Å
• b: 13.558 ± 0.003 Å
• c: 8.58 ± 0.0017 Å
• α: 90°
• β: 96.752 ± 0.003°
• γ: 90°
• Cell volume: 1385.1 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.145
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes