Information card for entry 2212010

Structure parameters

• Chemical name: [(2,4-Dinitrophenyl)hydrozono](phenyl)acetaldehyde oxime monohydrate
• Formula: C14 H13 N5 O6
• Calculated formula: C14 H13 N5 O6
• SMILES: O=N(=O)c1cc(N(=O)=O)c(NN=C(C=NO)c2ccccc2)cc1.O
• Title of publication: [(2,4-Dinitrophenyl)hydrazono](phenyl)acetaldehyde oxime monohydrate
• Authors of publication: Ayşin Zülfikaroğlu; Hümeyra Batı; Nezihe Çalışkan; Çiğdem Yüksektepe; Orhan Büyükgüngör
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o582 - o584
• a: 17.2299 ± 0.0019 Å
• b: 7.0635 ± 0.0012 Å
• c: 13.5311 ± 0.0015 Å
• α: 90°
• β: 109.629 ± 0.008°
• γ: 90°
• Cell volume: 1551.1 ± 0.4 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.1653
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes