Information card for entry 2235830

Structure parameters

• Chemical name: <i>N</i>'-(2,4-Dinitrophenyl)benzohydrazide
• Formula: C13 H10 N4 O5
• Calculated formula: C13 H10 N4 O5
• SMILES: O=C(NNc1c(N(=O)=O)cc(N(=O)=O)cc1)c1ccccc1
• Title of publication: <i>N</i>'-(2,4-Dinitrophenyl)benzohydrazide
• Authors of publication: Saeed, Aamer; Arshad, Ifzan; Flörke, Ulrich
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2418
• a: 13.5714 ± 0.001 Å
• b: 8.4621 ± 0.0006 Å
• c: 11.4547 ± 0.0009 Å
• α: 90°
• β: 93.83 ± 0.002°
• γ: 90°
• Cell volume: 1312.55 ± 0.17 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0313
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes