Information card for entry 2204078

Structure parameters

• Chemical name: 3-[(2,4-Dinitrophenyl)hydrazono]butan-2-one oxime
• Formula: C10 H11 N5 O5
• Calculated formula: C10 H11 N5 O5
• SMILES: N(O)=C(C(=NNc1c(N(=O)=O)cc(N(=O)=O)cc1)C)C
• Title of publication: 3-[(2,4-Dinitrophenyl)hydrazono]butan-2-one oxime
• Authors of publication: Hanife Saraçoĝlu; Ceyda Davran; Serkan Soylu; Ömer Andaç; Hümeyra Batı; Nezihe Çalışkan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: o1307 - o1309
• a: 10.14 ± 0.0016 Å
• b: 12.3079 ± 0.0019 Å
• c: 10.6624 ± 0.0018 Å
• α: 90°
• β: 110.95 ± 0.012°
• γ: 90°
• Cell volume: 1242.7 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0969
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 0.871
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes