Information card for entry 2015387

Structure parameters

• Chemical name: 2,4-Dinitrophenylhydrazine
• Formula: C6 H6 N4 O4
• Calculated formula: C6 H6 N4 O4
• SMILES: O=N(=O)c1c(NN)ccc(N(=O)=O)c1
• Title of publication: 2,4-Dinitrophenylhydrazine, redetermined at 120K: a three-dimensional framework built from N—H···O, N—H···(O)~2~, N—H···π(arene) and C—H···O hydrogen bonds
• Authors of publication: Wardell, James L.; Low, John N.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o318 - o320
• a: 4.7917 ± 0.0002 Å
• b: 11.5905 ± 0.0006 Å
• c: 14.0496 ± 0.0005 Å
• α: 90°
• β: 98.372 ± 0.003°
• γ: 90°
• Cell volume: 771.97 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.098
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes