Information card for entry 2015189

Structure parameters

• Chemical name: 4-Nitrobenzaldehyde 2-nitrophenylhydrazone
• Formula: C13 H10 N4 O4
• Calculated formula: C13 H10 N4 O4
• SMILES: O=N(=O)c1c(NN=Cc2ccc(N(=O)=O)cc2)cccc1
• Title of publication: Three isomeric (<i>E</i>)-nitrobenzaldehyde nitrophenylhydrazones: chains of rings in isomorphous (<i>E</i>)-2-nitrobenzaldehyde 3-nitrophenylhydrazone and (<i>E</i>)-3-nitrobenzaldehyde 2-nitrophenylhydrazone, and centrosymmetric dimers in (<i>E</i>)-4-nitrobenzaldehyde 2-nitrophenylhydrazone
• Authors of publication: Ferguson, George; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o613 - o616
• a: 17.9563 ± 0.0016 Å
• b: 3.716 ± 0.0002 Å
• c: 22.0624 ± 0.0017 Å
• α: 90°
• β: 124.406 ± 0.005°
• γ: 90°
• Cell volume: 1214.58 ± 0.17 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: 0.1205
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1505
• Weighted residual factors for all reflections included in the refinement: 0.1696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes