Information card for entry 2222158

Structure parameters

• Common name: benzofurazan 1-oxide
• Formula: C6 H4 N2 O2
• Calculated formula: C6 H4 N2 O2
• SMILES: O=n1onc2ccccc12
• Title of publication: Low-temperature redetermination of benzofurazan 1-oxide
• Authors of publication: Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1275
• a: 6.6751 ± 0.0002 Å
• b: 7.3256 ± 0.0002 Å
• c: 7.6842 ± 0.0002 Å
• α: 100.71 ± 0.002°
• β: 114.265 ± 0.002°
• γ: 111.747 ± 0.002°
• Cell volume: 291.711 ± 0.018 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes