Information card for entry 2221748

Structure parameters

• Common name: tenuazonic acid 2,4-dinitrophenylhydrazone
• Chemical name: 3-{1-[(2,4-Dinitrophenyl)hydrazino]ethylidene}-5-(1-methylpropyl)pyrrolidine- 2,4-dione
• Formula: C16 H19 N5 O6
• Calculated formula: C16 H19 N5 O6
• SMILES: O=N(=O)c1cc(N(=O)=O)ccc1NN/C(=C1\C(=O)N[C@H](C1=O)[C@H](CC)C)C
• Title of publication: 3-{1-[(2,4-Dinitrophenyl)hydrazino]ethylidene}-5-(1-methylpropyl)pyrrolidine-2,4-dione
• Authors of publication: Siegel, David; Merkel, Stefan; Koch, Matthias; Emmerling, Franziska; Nehls, Irene
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o988 - o989
• a: 10.671 ± 0.001 Å
• b: 4.9387 ± 0.0005 Å
• c: 16.839 ± 0.002 Å
• α: 90°
• β: 107.363 ± 0.004°
• γ: 90°
• Cell volume: 846.99 ± 0.16 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes