Information card for entry 2218986

Structure parameters

• Chemical name: Benzamide oxime
• Formula: C7 H8 N2 O
• Calculated formula: C7 H8 N2 O
• SMILES: ON=C(N)c1ccccc1
• Title of publication: Benzamide oxime
• Authors of publication: Xu, Shu-Qing; Li, Jia-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1469
• a: 12.579 ± 0.002 Å
• b: 5.053 ± 0.001 Å
• c: 10.908 ± 0.002 Å
• α: 90°
• β: 90.38 ± 0.007°
• γ: 90°
• Cell volume: 693.3 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0625
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1325
• Weighted residual factors for all reflections included in the refinement: 0.1454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes