Information card for entry 2105257

Structure parameters

• Chemical name: 5,6-benzfurazan 1-oxide, polymorph Z4
• 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: 7.3643 ± 0.0009 Å
• b: 9.0332 ± 0.0011 Å
• c: 11.6675 ± 0.0014 Å
• α: 89.264 ± 0.002°
• β: 83.419 ± 0.002°
• γ: 87.027 ± 0.002°
• Cell volume: 769.99 ± 0.16 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: 0.0818
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes