Information card for entry 7245443

Structure parameters

• Chemical name: 1,2-bis(4-bromobenzyl)thio)ethane
• Formula: C8 H8 Br S
• Calculated formula: C8 H8 Br S
• Title of publication: One-pot thiol-free synthetic approach to sulfides, and sulfoxides selectively
• Authors of publication: Kotha, Sambasivarao; Gupta, Naveen Kumar; Ansari, Saima
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 39
• Pages of publication: 25154 - 25162
• a: 16.6134 ± 0.0006 Å
• b: 5.5697 ± 0.0002 Å
• c: 9.1693 ± 0.0004 Å
• α: 90°
• β: 104.329 ± 0.004°
• γ: 90°
• Cell volume: 822.06 ± 0.06 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0341
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0598
• Weighted residual factors for all reflections included in the refinement: 0.0631
• 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