Information card for entry 7251034

Structure parameters

• Chemical name: 4-bromophenyl 3-chlorobenzyl sulfoxide
• Formula: C13 H10 Br Cl O S
• Calculated formula: C13 H10 Br Cl O S
• Title of publication: Comparison between the crystal structures of racemic and enantiopure aryl benzyl sulfoxides.
• Authors of publication: Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella Febrer, Joan F.; Cardellicchio, Cosimo
• Journal of publication: RSC advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 45
• Pages of publication: 37824 - 37832
• a: 14.7677 ± 0.0009 Å
• b: 10.6376 ± 0.0007 Å
• c: 8.7815 ± 0.0005 Å
• α: 90°
• β: 104.795 ± 0.001°
• γ: 90°
• Cell volume: 1333.77 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0609
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No