Information card for entry 2200508

Structure parameters

• Formula: C12 H7 Br N2 O
• Calculated formula: C12 H7 Br N2 O
• Title of publication: 2-Bromobenzo[<i>c</i>]cinnoline 6-oxide
• Authors of publication: Hökelek, Tuncer; Kılıç, Emine; Dinçer, Sebla
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 7
• Pages of publication: o645 - o647
• a: 14.446 ± 0.003 Å
• b: 3.963 ± 0.001 Å
• c: 17.807 ± 0.007 Å
• α: 90°
• β: 98.59 ± 0.02°
• γ: 90°
• Cell volume: 1008 ± 0.5 ų
• Cell temperature: 298 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes