Information card for entry 2223243

Structure parameters

• Chemical name: 1,2-Bis(4-nitrobenzoyl)hydrazine
• Formula: C14 H10 N4 O6
• Calculated formula: C14 H10 N4 O6
• SMILES: O=C(c1ccc(cc1)N(=O)=O)NNC(=O)c1ccc(cc1)N(=O)=O
• Title of publication: 1,2-Bis(4-nitrobenzoyl)hydrazine
• Authors of publication: Jiang, Xue-Yue; Feng, Xiao-Jun; Yang, Song; Xu, Hua-Jie; Hao, Ling-Yun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2189
• a: 4.7947 ± 0.0006 Å
• b: 9.875 ± 0.0011 Å
• c: 14.9094 ± 0.0017 Å
• α: 90°
• β: 99.05 ± 0.03°
• γ: 90°
• Cell volume: 697.14 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1268
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.1889
• Weighted residual factors for all reflections included in the refinement: 0.2201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes