Information card for entry 2016011

Structure parameters

• Common name: N-(4-Nitrobenzoyl)-N'-phenylhydrazine
• Chemical name: N-anilino-4-nitrobenzamide
• Formula: C13 H11 N3 O3
• Calculated formula: C13 H11 N3 O3
• SMILES: c1(ccc(N(=O)=O)cc1)C(=O)NNc1ccccc1
• Title of publication: <i>N</i>-(4-Nitrobenzoyl)-<i>N</i>'-phenylhydrazine: a three-dimensional hydrogen-bonded framework
• Authors of publication: Wardell, James L.; Low, John N.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o334 - o336
• a: 4.6982 ± 0.0006 Å
• b: 9.9532 ± 0.0013 Å
• c: 25.719 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1202.7 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.1485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes