Information card for entry 2103145

Structure parameters

• Chemical name: 5-chlorobenzfurazan-1-oxide
• Formula: C6 H3 Cl N2 O2
• Calculated formula: C6 H3 Cl N2 O2
• Title of publication: 5-Chloro- and 5-bromobenzfurazan 1-oxide revisited
• Authors of publication: Pink, Maren; Britton, Doyle
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 1
• Pages of publication: 116 - 124
• a: 7.8317 ± 0.001 Å
• b: 7.0527 ± 0.0009 Å
• c: 12.2576 ± 0.0015 Å
• α: 90°
• β: 93.612 ± 0.002°
• γ: 90°
• Cell volume: 675.7 ± 0.15 ų
• Cell temperature: 98 ± 1 K
• Ambient diffraction temperature: 98 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for all reflections: 0.1027
• Weighted residual factors for significantly intense reflections: 0.0973
• Goodness-of-fit parameter for all reflections: 1.043
• Goodness-of-fit parameter for significantly intense reflections: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes