Information card for entry 2242476

Structure parameters

• Common name: 5-[2-(2,4,6-Tribromophenyl)diazenyl]tropolone
• Chemical name: 2-Hydroxy-5-[2-(2,4,6-tribromophenyl)diazen-1-yl]cyclohepta-2,4,6-trien-1-one
• Formula: C13 H7 Br3 N2 O2
• Calculated formula: C13 H7 Br3 N2 O2
• SMILES: c1(=O)c(ccc(cc1)/N=N/c1c(cc(cc1Br)Br)Br)O
• Title of publication: Crystal structure of 5-[2-(2,4,6-tribromophenyl)diazenyl]tropolone
• Authors of publication: Hill, Tania N.; Savig, Kelsey L.; Lemmerer, Andreas
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 5
• Pages of publication: 709 - 712
• a: 18.1742 ± 0.0003 Å
• b: 4.7885 ± 0.0001 Å
• c: 16.0308 ± 0.0003 Å
• α: 90°
• β: 104.56 ± 0.001°
• γ: 90°
• Cell volume: 1350.31 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for all reflections included in the refinement: 0.051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes