Information card for entry 2227356

Structure parameters

• Chemical name: <i>o</i>-Benzoquinone dioxime
• Formula: C6 H6 N2 O2
• Calculated formula: C6 H6 N2 O2
• SMILES: C\1(=N\O)/C(=N\O)C=CC=C1
• Title of publication: <i>o</i>-Benzoquinone dioxime
• Authors of publication: Gervasio, Giuliana; Marabello, Domenica; Bertolotti, Federica
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2764
• a: 15.009 ± 0.005 Å
• b: 3.8181 ± 0.0013 Å
• c: 10.694 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 612.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes