Information card for entry 2225886

Structure parameters

• Common name: (<i>E</i>)-4-Nitrobenzaldehyde oxime
• Chemical name: (<i>E</i>)-4-Nitrobenzaldehyde oxime
• Formula: C7 H6 N2 O3
• Calculated formula: C7 H6 N2 O3
• SMILES: O/N=C/c1cc(N(=O)=O)ccc1
• Title of publication: (<i>E</i>)-4-Nitrobenzaldehyde oxime
• Authors of publication: Abbas, Asghar; Hussain, Safdar; Hafeez, Noureen; Badshah, Amir; Hasan, Aurangzeb; Lo, Kong Mun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1130
• a: 3.7737 ± 0.0002 Å
• b: 7.0363 ± 0.0003 Å
• c: 28.6651 ± 0.0014 Å
• α: 90°
• β: 91.237 ± 0.003°
• γ: 90°
• Cell volume: 760.96 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0874
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1632
• Weighted residual factors for all reflections included in the refinement: 0.1746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes