Information card for entry 8105727

Structure parameters

• Formula: C15 H10 Br Cl O2
• Calculated formula: C15 H10 Br Cl O2
• Title of publication: Crystal structure of 6-bromo-2-(4-chlorophenyl)chroman-4-one (6-bromo-4′-chloroflavanone), C15H10BrClO2
• Authors of publication: Maluleka, Marole M.; Mphahlele, Malose J.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 3
• Pages of publication: 475 - 477
• a: 9.2173 ± 0.0006 Å
• b: 20.7174 ± 0.0014 Å
• c: 6.9035 ± 0.0004 Å
• α: 90°
• β: 99.332 ± 0.003°
• γ: 90°
• Cell volume: 1300.83 ± 0.14 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 all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No