Information card for entry 7246339

Structure parameters

• Formula: C9 H10 Br N O2
• Calculated formula: C9 H10 Br N O2
• SMILES: [Br-].[nH+]1cccc2cccc(O)c12.O
• Title of publication: On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline
• Authors of publication: Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 13
• Pages of publication: 1993 - 2002
• a: 7.7223 ± 0.0001 Å
• b: 8.3116 ± 0.0002 Å
• c: 15.3112 ± 0.0003 Å
• α: 90°
• β: 101.017 ± 0.002°
• γ: 90°
• Cell volume: 964.63 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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 all reflections: 0.0292
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No