Information card for entry 2012611

Structure parameters

• Chemical name: 4,7-dichlorobenzo[c]furazan 1-oxide, polymorph I
• Formula: C6 H2 Cl2 N2 O2
• Calculated formula: C6 H2 Cl2 N2 O2
• SMILES: Clc1c2non(=O)c2c(Cl)cc1
• Title of publication: The crystal packing of 4,7-dichloro- and 4,7-dibromobenzo[<i>c</i>]furazan 1-oxide
• Authors of publication: Britton, Doyle; Mallory, Frank B.; Mallory, Clelia W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 4
• Pages of publication: o235 - o238
• a: 7.357 ± 0.002 Å
• b: 7.667 ± 0.002 Å
• c: 8.19 ± 0.002 Å
• α: 92.1 ± 0.01°
• β: 109.81 ± 0.01°
• γ: 117.31 ± 0.01°
• Cell volume: 375.84 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No