Information card for entry 2105259

Structure parameters

• Chemical name: 5,6-benzfurazan 1-oxide - polymorph Z10
• Formula: C8 H8 N2 O2
• Calculated formula: C8 H8 N2 O2
• Title of publication: Four polymorphs (polytypes) of 5,6-dimethylbenzofurazan 1-oxide
• Authors of publication: Britton, Doyle; Young, Jr, Victor G.; Noland, Wayland E.; Pinnow, Matthew J.; Clark, Christopher M.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: 536 - 542
• a: 9.0136 ± 0.0018 Å
• b: 13.064 ± 0.003 Å
• c: 16.567 ± 0.003 Å
• α: 95.055 ± 0.004°
• β: 97.969 ± 0.004°
• γ: 90.742 ± 0.004°
• Cell volume: 1923.8 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1925
• Residual factor for significantly intense reflections: 0.1143
• Weighted residual factors for significantly intense reflections: 0.2661
• Weighted residual factors for all reflections included in the refinement: 0.3381
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No