Information card for entry 2105258

Structure parameters

• Chemical name: 5,6-benzfurazan 1-oxide, polymorph Z6
• 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: 9.007 ± 0.0011 Å
• b: 11.1331 ± 0.0013 Å
• c: 12.9526 ± 0.0015 Å
• α: 65.173 ± 0.002°
• β: 80.629 ± 0.002°
• γ: 79.862 ± 0.002°
• Cell volume: 1154.6 ± 0.2 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: 0.0762
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1429
• Weighted residual factors for all reflections included in the refinement: 0.1676
• 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: Yes
• Has Fobs: Yes