Information card for entry 2212188

Structure parameters

• Chemical name: 4-Nitrobenzamidoxime
• Formula: C7 H7 N3 O3
• Calculated formula: C7 H7 N3 O3
• SMILES: O=N(=O)c1ccc(cc1)C(N)=NO
• Title of publication: 4-Nitrobenzamidoxime
• Authors of publication: Xing, Zhi-Tao; Ding, Wei-Lin; Wang, Hai-Bo; Wang, Pin-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o489 - o490
• a: 11.32 ± 0.002 Å
• b: 7.776 ± 0.0016 Å
• c: 18.802 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1655 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1701
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.1649
• Weighted residual factors for all reflections included in the refinement: 0.2003
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes