Information card for entry 2013244

Structure parameters

• Common name: Bis(2-bromophenyl) disulfide
• Chemical name: Bis(2-bromophenyl) disulfide
• Formula: C12 H8 Br2 S2
• Calculated formula: C12 H8 Br2 S2
• SMILES: Brc1c(SSc2c(Br)cccc2)cccc1
• Title of publication: Two polymorphs of bis(2-bromophenyl) disulfide
• Authors of publication: J.R. Anacona; Jofre Gómez; Daniel Loroño
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 5
• Pages of publication: o277 - o280
• a: 7.6844 ± 0.001 Å
• b: 14.424 ± 0.0018 Å
• c: 22.378 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2480.4 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0222
• Residual factor for significantly intense reflections: 0.0189
• Weighted residual factors for significantly intense reflections: 0.0481
• Weighted residual factors for all reflections included in the refinement: 0.0485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes