Information card for entry 7251029

Structure parameters

• Chemical name: 4-bromophenyl 2-methoxybenzyl sulfoxide
• Formula: C14 H13 Br O2 S
• Calculated formula: C14 H13 Br O2 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: 7.3042 ± 0.0005 Å
• b: 7.6512 ± 0.0005 Å
• c: 12.3586 ± 0.0008 Å
• α: 96.168 ± 0.001°
• β: 96.341 ± 0.001°
• γ: 95.461 ± 0.001°
• Cell volume: 678.46 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No