Information card for entry 2014777

Structure parameters

• Chemical name: 2,6-Dimethyl-1,4-benzoquinone monooxime
• Formula: C8 H9 N O2
• Calculated formula: C8 H9 N O2
• SMILES: C1(=O)C(=C/C(=N/O)C=C1C)C
• Title of publication: 2,6-Dimethyl-1,4-benzoquinone 4-monooxime
• Authors of publication: Odabaşoğlu, Mustafa; Albayrak, Çiğdem; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o240 - o242
• a: 7.2505 ± 0.0007 Å
• b: 16.3379 ± 0.001 Å
• c: 26.4894 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3137.9 ± 0.4 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0895
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 0.872
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No